data_[Re6Si6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1321]
_cell_length_b [10.7000]
_cell_length_c [8.0369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ReSiP]
_chemical_formula_sum '[Re6 Si6 P6]'
_cell_volume [269.3427]
_cell_formula_units_Z [6]
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  0.0000  0.1348  0.2021  1
  Si  Si1  4  0.0000  0.1582  0.5087  1
  Re  Re2  2  0.0000  0.0000  0.7796  1
  Si  Si3  2  0.5000  0.0000  0.0220  1
  P  P4  4  0.5000  0.1794  0.7106  1
  P  P5  2  0.5000  0.0000  0.3554  1
]