data_Re3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.79
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   33.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Pt
_chemical_formula_sum   'Re3 Pt1'
_cell_volume   60.26
_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  0.67  0.0  0.13  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.69  0.0  0.59  1.0
  Pt  Pt0  1  0.18  0.0  0.36  1.0

data_Re3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.79
_cell_length_c   4.82
_cell_angle_alpha   100.1
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Pt
_chemical_formula_sum   'Re3 Pt1'
_cell_volume   60.26
_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
  Re  Re1  1  0.0  0.13  0.67  1.0
  Re  Re2  1  0.0  0.59  0.69  1.0
  Pt  Pt3  1  0.0  0.36  0.18  1.0

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