data_ReP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.41
_cell_angle_alpha   91.34
_cell_angle_beta   91.34
_cell_angle_gamma   43.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReP2Pt
_chemical_formula_sum   'Re1 P2 Pt1'
_cell_volume   63.13
_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  0.09  0.0  0.21  1.0
  P  P0  1  0.21  0.0  0.18  1.0
  P  P1  1  0.15  0.0  0.64  1.0
  Pt  Pt2  1  0.24  0.0  0.48  1.0

data_ReP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.1
_cell_length_c   5.41
_cell_angle_alpha   91.34
_cell_angle_beta   90.0
_cell_angle_gamma   111.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReP2Pt
_chemical_formula_sum   'Re1 P2 Pt1'
_cell_volume   63.13
_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  0.91  0.79  1.0
  P  P1  1  0.0  0.79  0.82  1.0
  P  P2  1  0.0  0.85  0.36  1.0
  Pt  Pt3  1  0.0  0.76  0.52  1.0

Re P P Pt
Re P P Pt 0 1 o o o 2 3 o o o 