From a172c8c8a348488cb7bf363aaab337767375c3bb Mon Sep 17 00:00:00 2001
From: James Beilsten-Edmands
 <30625594+jbeilstenedmands@users.noreply.github.com>
Date: Fri, 14 Nov 2025 13:19:28 +0000
Subject: [PATCH] Correctly get space group from Hall symbol

---
 dx2/crystal.cxx | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/dx2/crystal.cxx b/dx2/crystal.cxx
index 64b6106..d22ed31 100644
--- a/dx2/crystal.cxx
+++ b/dx2/crystal.cxx
@@ -58,8 +58,9 @@ Crystal::Crystal(json crystal_data) {
   Vector3d rsc{{crystal_data["real_space_c"][0],
                 crystal_data["real_space_c"][1],
                 crystal_data["real_space_c"][2]}};
-  space_group_ =
-      *gemmi::find_spacegroup_by_name(crystal_data["space_group_hall_symbol"]);
+  std::string hall_symbol = crystal_data["space_group_hall_symbol"];
+  gemmi::GroupOps ops = gemmi::symops_from_hall(hall_symbol.c_str());
+  space_group_ = *gemmi::find_spacegroup_by_ops(ops);
   init_from_abc(rsa, rsb, rsc);
 }