data_LaReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   4.74
_cell_angle_alpha   92.7
_cell_angle_beta   92.7
_cell_angle_gamma   28.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReBr2
_chemical_formula_sum   'La1 Re1 Br2'
_cell_volume   120.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.96  0.0  0.37  1.0
  Br  Br0  1  0.78  0.0  0.15  1.0
  Br  Br1  1  0.15  0.0  0.59  1.0

data_LaReBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.74
_cell_length_c   7.3
_cell_angle_alpha   92.7
_cell_angle_beta   104.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReBr2
_chemical_formula_sum   'La1 Re1 Br2'
_cell_volume   120.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.37  0.96  1.0
  Br  Br2  1  0.0  0.15  0.78  1.0
  Br  Br3  1  0.0  0.59  0.15  1.0

La Re Br Br