data_SiP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   6.13
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   52.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2Pt
_chemical_formula_sum   'Si1 P2 Pt1'
_cell_volume   66.06
_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
  Si  Si3  1  0.67  0.0  0.6  1.0
  P  P0  1  0.41  0.0  0.79  1.0
  P  P1  1  0.61  0.0  0.31  1.0
  Pt  Pt2  1  0.49  0.0  0.85  1.0

data_SiP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.79
_cell_length_c   6.13
_cell_angle_alpha   106.37
_cell_angle_beta   90.0
_cell_angle_gamma   116.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiP2Pt
_chemical_formula_sum   'Si1 P2 Pt1'
_cell_volume   66.06
_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
  Si  Si0  1  0.0  0.33  0.4  1.0
  P  P1  1  0.0  0.39  0.69  1.0
  P  P2  1  0.0  0.59  0.21  1.0
  Pt  Pt3  1  0.0  0.51  0.15  1.0

Si P P Pt
Si P P Pt 0 2 o o o 0 3 o o o 0 1 o o o 1 3 o o o 