data_SnP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   114.72
_cell_angle_beta   114.72
_cell_angle_gamma   99.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnP2Pt
_chemical_formula_sum   'Sn1 P2 Pt1'
_cell_volume   70.56
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.45  0.0  0.47  1.0
  P  P1  1  0.0  0.45  0.47  1.0
  Pt  Pt2  1  0.0  0.0  0.94  1.0

data_SnP2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   6.93
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   130.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnP2Pt
_chemical_formula_sum   'Sn2 P4 Pt2'
_cell_volume   141.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sn  Sn0  2  0.0  0.0  0.0  1.0
  P  P1  4  0.26  0.27  0.53  1.0
  Pt  Pt2  2  0.06  0.0  0.06  1.0

Sn P P Pt