data_LiP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   133.42
_cell_angle_beta   133.42
_cell_angle_gamma   68.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP2Pt
_chemical_formula_sum   'Li1 P2 Pt1'
_cell_volume   55.69
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.88  0.0  0.97  1.0
  P  P2  1  0.0  0.0  0.94  1.0
  Pt  Pt3  1  0.0  0.88  0.97  1.0

data_LiP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   4.75
_cell_angle_alpha   113.29
_cell_angle_beta   113.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP2Pt
_chemical_formula_sum   'Li1 P2 Pt1'
_cell_volume   55.69
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.03  0.0  0.91  1.0
  P  P2  1  0.06  0.0  0.06  1.0
  Pt  Pt3  1  0.91  0.88  0.91  1.0

Li P P Pt