data_PrSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrSbPt
_chemical_formula_sum   'Pr2 Sb2 Pt2'
_cell_volume   147.92
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.0  0.0  0.03  1.0
  Pr  Pr1  1  0.0  0.0  0.1  1.0
  Sb  Sb4  1  0.0  0.65  0.96  1.0
  Sb  Sb5  1  0.29  0.32  0.03  1.0
  Pt  Pt2  1  0.0  0.65  0.31  1.0
  Pt  Pt3  1  0.29  0.32  0.37  1.0

data_PrSbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrSbPt
_chemical_formula_sum   'Pr2 Sb2 Pt2'
_cell_volume   147.92
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.0  0.0  0.03  1.0
  Pr  Pr1  1  0.0  0.0  0.1  1.0
  Sb  Sb2  1  0.0  0.65  0.96  1.0
  Sb  Sb3  1  0.29  0.32  0.03  1.0
  Pt  Pt4  1  0.0  0.65  0.31  1.0
  Pt  Pt5  1  0.29  0.32  0.37  1.0

Pr Pr Sb Sb Pt Pt
Pr Pr Sb Sb Pt Pt 0 1 o o o 0 2 o - - 0 3 o o o 0 4 o - o 0 5 o o o 1 2 o - - 1 3 o o o 1 4 o - o 1 5 o o o 2 4 o o + 3 5 o o o 4 5 - o o 4 5 o + o 4 5 o o o 