data_RePt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.86
_cell_angle_alpha   99.19
_cell_angle_beta   99.19
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePt3
_chemical_formula_sum   'Re1 Pt3'
_cell_volume   61.35
_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  Re3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.73  0.0  0.64  1.0
  Pt  Pt1  1  0.68  0.0  0.15  1.0
  Pt  Pt2  1  0.2  0.0  0.4  1.0

data_RePt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.81
_cell_length_c   4.86
_cell_angle_alpha   99.19
_cell_angle_beta   90.0
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePt3
_chemical_formula_sum   'Re1 Pt3'
_cell_volume   61.35
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.27  0.36  1.0
  Pt  Pt2  1  0.0  0.32  0.85  1.0
  Pt  Pt3  1  0.0  0.8  0.6  1.0

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