data_LaPtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.23
_cell_length_c   3.71
_cell_angle_alpha   74.03
_cell_angle_beta   71.59
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtBr
_chemical_formula_sum   'La1 Pt1 Br1'
_cell_volume   78.18
_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  0.52  0.72  0.83  1.0
  Pt  Pt2  1  0.52  0.72  0.52  1.0
  Br  Br0  1  0.52  0.72  0.04  1.0

data_LaPtBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   11.4
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   132.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPtBr
_chemical_formula_sum   'La2 Pt2 Br2'
_cell_volume   156.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.5  0.35  1.0
  Pt  Pt1  2  0.02  0.5  0.04  1.0
  Br  Br2  2  0.04  0.0  0.56  1.0

La Pt Br