data_[Re4P12]
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 [Pnma]
_cell_length_a [15.4698]
_cell_length_b [3.1486]
_cell_length_c [5.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ReP3]
_chemical_formula_sum '[Re4 P12]'
_cell_volume [251.3741]
_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  0.1505  0.2500  0.1499  1.0
  P  P1  4  0.0130  0.2500  0.3536  1.0
  P  P2  4  0.1182  0.7500  0.8207  1.0
  P  P3  4  0.2073  0.7500  0.4772  1.0
]