data_ReTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   148.65
_cell_angle_beta   129.68
_cell_angle_gamma   60.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTePt2
_chemical_formula_sum   'Re1 Te1 Pt2'
_cell_volume   68.75
_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
  Re  Re2  1  0.0  0.0  0.82  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.37  0.39  1.0
  Pt  Pt1  1  0.51  0.0  0.42  1.0

data_ReTePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.74
_cell_length_c   5.57
_cell_angle_alpha   115.16
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTePt2
_chemical_formula_sum   'Re1 Te1 Pt2'
_cell_volume   68.75
_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
  Re  Re0  1  0.0  0.82  0.82  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.42  0.91  1.0
  Pt  Pt3  1  0.63  0.03  0.03  1.0

Re Te Pt Pt
Re Te Pt Pt 0 1 o o + 0 3 o o + 0 3 - o o 1 2 o o o 1 3 o o o 1 3 - o - 2 3 o o o 