data_LaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   140.56
_cell_angle_beta   139.3
_cell_angle_gamma   57.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPt
_chemical_formula_sum   'La2 Pt2'
_cell_volume   96.87
_cell_formula_units_Z   2
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  0.08  0.07  0.34  1.0
  La  La1  1  0.0  0.07  0.06  1.0
  Pt  Pt2  1  0.0  0.22  0.29  1.0
  Pt  Pt3  1  0.08  0.93  0.11  1.0

data_LaPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.17
_cell_length_b   4.3
_cell_length_c   6.18
_cell_angle_alpha   110.35
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaPt
_chemical_formula_sum   'La2 Pt2'
_cell_volume   96.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.14  0.1  1.0
  Pt  Pt1  2  0.35  0.94  0.98  1.0

La La Pt Pt