data_Pt2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   148.78
_cell_angle_beta   130.76
_cell_angle_gamma   59.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2RhSe
_chemical_formula_sum   'Pt2 Rh1 Se1'
_cell_volume   63.73
_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  0.47  0.0  0.22  1.0
  Pt  Pt1  1  0.0  0.28  0.53  1.0
  Rh  Rh2  1  0.0  0.0  0.75  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pt2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.56
_cell_length_c   5.47
_cell_angle_alpha   114.62
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2RhSe
_chemical_formula_sum   'Pt2 Rh1 Se1'
_cell_volume   63.73
_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
  Rh  Rh0  1  0.25  0.25  0.25  1.0
  Pt  Pt1  1  0.25  0.78  0.25  1.0
  Pt  Pt2  1  0.47  0.75  0.75  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Pt Pt Rh Se
Pt Pt Rh Se 0 2 o o - 0 2 + o o 0 3 o o o 1 3 o o o 2 3 o o + 