data_Re2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TePt
_chemical_formula_sum   'Re2 Te1 Pt1'
_cell_volume   71.03
_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  Re1  1  0.64  0.0  0.95  1.0
  Re  Re2  1  0.64  0.0  0.62  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.79  1.0

data_Re2TePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TePt
_chemical_formula_sum   'Re2 Te1 Pt1'
_cell_volume   71.03
_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  0.64  0.0  0.62  1.0
  Re  Re1  1  0.64  0.0  0.95  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.79  1.0

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