data_PtRhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   148.64
_cell_angle_beta   148.64
_cell_angle_gamma   44.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtRhSe
_chemical_formula_sum   'Pt1 Rh1 Se1'
_cell_volume   48.09
_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
  Pt  Pt0  1  0.0  0.0  0.39  1.0
  Rh  Rh1  1  0.0  0.0  0.32  1.0
  Se  Se2  1  0.0  0.0  0.08  1.0

data_PtRhSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   112.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PtRhSe
_chemical_formula_sum   'Pt2 Rh2 Se2'
_cell_volume   96.17
_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
  Rh  Rh0  2  0.32  0.0  0.32  1.0
  Pt  Pt1  2  0.39  0.0  0.39  1.0
  Se  Se2  2  0.08  0.0  0.08  1.0

Pt Rh Se
Pt Rh Se 0 1 o o o 1 2 o o o 