data_LaPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.06
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtBr2
_chemical_formula_sum   'La1 Pt1 Br2'
_cell_volume   98.45
_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
  Pt  Pt3  1  0.0  0.0  0.27  1.0
  Br  Br0  1  0.85  0.03  0.97  1.0
  Br  Br1  1  0.85  0.03  0.58  1.0

data_LaPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.06
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtBr2
_chemical_formula_sum   'La1 Pt1 Br2'
_cell_volume   98.45
_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
  Pt  Pt1  1  0.0  0.0  0.27  1.0
  Br  Br2  1  0.85  0.03  0.58  1.0
  Br  Br3  1  0.85  0.03  0.97  1.0

La Pt Br Br
La Pt Br Br 0 2 - o - 0 1 o o o 1 2 - o - 1 3 - o o 