data_Sb2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   31.89
_cell_angle_beta   31.89
_cell_angle_gamma   31.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PtSe
_chemical_formula_sum   'Sb2 Pt1 Se1'
_cell_volume   94.62
_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
  Sb  Sb1  1  0.0  0.0  0.34  1.0
  Sb  Sb2  1  0.0  0.0  0.08  1.0
  Pt  Pt0  1  0.0  0.0  0.49  1.0
  Se  Se3  1  0.0  0.0  0.05  1.0

data_Sb2PtSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   3.99
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2PtSe
_chemical_formula_sum   'Sb4 Pt2 Se2'
_cell_volume   189.25
_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
  Sb  Sb0  2  -0.0  0.0  0.92  1.0
  Sb  Sb1  2  -0.0  0.0  0.66  1.0
  Pt  Pt2  2  -0.0  0.0  0.51  1.0
  Se  Se3  2  -0.0  0.0  0.95  1.0

Sb Sb Pt Se
Sb Sb Pt Se 0 2 o o o 1 3 o o o 