data_[Re4P6F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.8571]
_cell_length_b [5.8077]
_cell_length_c [17.9895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re2P3F]
_chemical_formula_sum '[Re4 P6 F2]'
_cell_volume [611.9342]
_cell_formula_units_Z [2]
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  0.3894  0.2611  0.5017  1
  P  P1  2  0.1465  0.5000  0.4210  1
  P  P2  2  0.1603  0.0000  0.4173  1
  P  P3  2  0.1688  0.0000  0.5753  1
  F  F4  2  0.2263  0.5000  0.5830  1
]