data_[Re4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [4.3395]
_cell_length_b [19.3580]
_cell_length_c [9.0371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ReP2]
_chemical_formula_sum '[Re4 P8]'
_cell_volume [733.0377]
_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  4  0.2956  0.4978  0.3518  1
  P  P1  4  0.1747  0.4533  0.5779  1
  P  P2  2  0.0000  0.3874  0.7500  1
  P  P3  2  0.5000  0.4043  0.2500  1
]