data_ReGePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   147.23
_cell_angle_beta   131.28
_cell_angle_gamma   59.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGePt
_chemical_formula_sum   'Re1 Ge1 Pt1'
_cell_volume   46.31
_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  0.62  1.0
  Ge  Ge0  1  0.0  0.0  0.01  1.0
  Pt  Pt1  1  0.0  0.0  0.79  1.0

data_ReGePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.01
_cell_length_c   4.86
_cell_angle_alpha   114.36
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReGePt
_chemical_formula_sum   'Re1 Ge1 Pt1'
_cell_volume   46.31
_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  0.38  0.38  0.38  1.0
  Ge  Ge1  1  0.99  0.99  0.99  1.0
  Pt  Pt2  1  0.21  0.21  0.21  1.0

Re Ge Pt