data_InReP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   44.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReP2
_chemical_formula_sum   'In1 Re1 P2'
_cell_volume   68.88
_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  0.0  0.56  1.0
  Re  Re3  1  0.29  0.0  0.93  1.0
  P  P1  1  0.29  0.0  0.85  1.0
  P  P2  1  0.0  0.0  0.99  1.0

data_InReP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.57
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   112.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReP2
_chemical_formula_sum   'In1 Re1 P2'
_cell_volume   68.88
_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  0.44  0.0  0.44  1.0
  Re  Re1  1  0.07  0.29  0.07  1.0
  P  P2  1  0.01  0.0  0.01  1.0
  P  P3  1  0.15  0.29  0.15  1.0

In Re P P
In Re P P 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 