data_SbPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.41
_cell_length_c   3.32
_cell_angle_alpha   75.39
_cell_angle_beta   74.7
_cell_angle_gamma   29.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPtSe
_chemical_formula_sum   'Sb1 Pt1 Se1'
_cell_volume   65.71
_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  0.32  0.37  0.55  1.0
  Pt  Pt0  1  0.32  0.37  0.04  1.0
  Se  Se2  1  0.32  0.37  0.36  1.0

data_SbPtSe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.32
_cell_length_b   11.96
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   SbPtSe
_chemical_formula_sum   'Sb2 Pt2 Se2'
_cell_volume   131.47
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.07  1.0
  Pt  Pt1  2  0.0  0.0  0.58  1.0
  Se  Se2  2  0.0  0.0  0.26  1.0

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