data_ReP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.02
_cell_length_b   17.02
_cell_length_c   17.02
_cell_angle_alpha   168.48
_cell_angle_beta   168.48
_cell_angle_gamma   16.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReP2
_chemical_formula_sum   'Re4 P8'
_cell_volume   196.43
_cell_formula_units_Z   4
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  Re8  1  0.0  0.71  0.34  1.0
  Re  Re9  1  0.0  0.71  0.5  1.0
  Re  Re10  1  0.0  0.0  0.61  1.0
  Re  Re11  1  0.0  0.0  0.08  1.0
  P  P0  1  0.71  0.0  0.69  1.0
  P  P1  1  0.71  0.0  0.16  1.0
  P  P2  1  0.0  0.0  0.11  1.0
  P  P3  1  0.0  0.0  0.58  1.0
  P  P4  1  0.71  0.0  0.11  1.0
  P  P5  1  0.71  0.0  0.73  1.0
  P  P6  1  0.0  0.0  0.53  1.0
  P  P7  1  0.0  0.0  0.16  1.0

data_ReP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   17.02
_cell_angle_alpha   95.76
_cell_angle_beta   95.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReP2
_chemical_formula_sum   'Re4 P8'
_cell_volume   196.43
_cell_formula_units_Z   4
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  0.21  0.71  0.21  1.0
  Re  Re1  1  0.36  0.71  0.36  1.0
  Re  Re2  1  0.39  0.0  0.39  1.0
  Re  Re3  1  0.92  0.0  0.92  1.0
  P  P4  1  0.27  0.0  0.97  1.0
  P  P5  1  0.31  0.0  0.02  1.0
  P  P6  1  0.42  0.0  0.42  1.0
  P  P7  1  0.47  0.0  0.47  1.0
  P  P8  1  0.84  0.0  0.55  1.0
  P  P9  1  0.84  0.0  0.84  1.0
  P  P10  1  0.89  0.0  0.6  1.0
  P  P11  1  0.89  0.0  0.89  1.0

Re Re Re Re P P P P P P P P
Re Re Re Re P P P P P P P P 0 2 o + o 0 1 o o o 1 7 o + o 1 2 o + o 1 1 + o + 1 1 o + + 1 4 - + o 2 7 o o o 3 6 o o o 4 9 o o o 5 8 o o o 6 11 o o o 7 10 o o o 