data_ReAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.86
_cell_angle_alpha   105.22
_cell_angle_beta   105.22
_cell_angle_gamma   111.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Pt
_chemical_formula_sum   'Re1 As2 Pt1'
_cell_volume   65.65
_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
  As  As0  1  0.49  0.18  0.0  1.0
  As  As1  1  0.49  0.82  0.0  1.0
  Pt  Pt2  1  0.98  0.0  0.0  1.0

data_ReAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.27
_cell_length_c   5.28
_cell_angle_alpha   119.62
_cell_angle_beta   105.22
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Pt
_chemical_formula_sum   'Re1 As2 Pt1'
_cell_volume   65.65
_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
  As  As1  1  0.18  0.18  0.67  1.0
  As  As2  1  0.82  0.82  0.31  1.0
  Pt  Pt3  1  0.0  0.0  0.98  1.0

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