data_La2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   141.6
_cell_angle_beta   141.6
_cell_angle_gamma   55.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReBr
_chemical_formula_sum   'La2 Re1 Br1'
_cell_volume   100.12
_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  La1  1  0.1  0.0  0.83  1.0
  La  La2  1  0.0  0.0  0.66  1.0
  Re  Re3  1  0.0  0.1  0.83  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_La2ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   6.39
_cell_angle_alpha   109.2
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReBr
_chemical_formula_sum   'La2 Re1 Br1'
_cell_volume   100.12
_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  0.17  0.0  0.27  1.0
  La  La1  1  0.34  0.0  0.34  1.0
  Re  Re2  1  0.27  0.1  0.27  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La La Re Br