data_LaP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   93.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP2Pt
_chemical_formula_sum   'La1 P2 Pt1'
_cell_volume   86.65
_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  0.18  0.0  0.86  1.0
  P  P1  1  0.79  0.24  0.17  1.0
  P  P2  1  0.78  0.0  0.27  1.0
  Pt  Pt3  1  0.34  0.24  0.41  1.0

data_LaP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP2Pt
_chemical_formula_sum   'La1 P2 Pt1'
_cell_volume   86.65
_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  0.82  0.14  0.0  1.0
  P  P1  1  0.21  0.83  0.76  1.0
  P  P2  1  0.22  0.73  0.0  1.0
  Pt  Pt3  1  0.66  0.59  0.76  1.0

La P P Pt