data_In2RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.45
_cell_angle_alpha   100.74
_cell_angle_beta   100.74
_cell_angle_gamma   34.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2RePt
_chemical_formula_sum   'In2 Re1 Pt1'
_cell_volume   72.45
_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
  In  In0  1  0.51  0.0  0.01  1.0
  In  In1  1  0.71  0.0  0.33  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.11  0.0  0.67  1.0

data_In2RePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.87
_cell_length_c   5.45
_cell_angle_alpha   100.74
_cell_angle_beta   90.0
_cell_angle_gamma   107.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2RePt
_chemical_formula_sum   'In2 Re1 Pt1'
_cell_volume   72.45
_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
  In  In0  1  0.0  0.29  0.67  1.0
  In  In1  1  0.0  0.49  0.99  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.89  0.33  1.0

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