data_[Re1Si4P4]
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 [P1]
_cell_length_a [5.0164]
_cell_length_b [5.6468]
_cell_length_c [6.2389]
_cell_angle_alpha [86.3204]
_cell_angle_beta [68.5384]
_cell_angle_gamma [71.3441]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Re(SiP)4]
_chemical_formula_sum '[Re1 Si4 P4]'
_cell_volume [155.5510]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.2372  0.3447  0.4336  1.0
  Si  Si1  1  0.3644  0.5959  0.8762  1.0
  Si  Si2  1  0.6689  0.7763  0.2291  1.0
  Si  Si3  1  0.8411  0.9726  0.6877  1.0
  Re  Re4  1  0.9999  0.0089  0.0038  1.0
  P  P5  1  0.1592  0.0119  0.3205  1.0
  P  P6  1  0.3440  0.2247  0.7568  1.0
  P  P7  1  0.6163  0.4109  0.1231  1.0
  P  P8  1  0.7691  0.6359  0.5607  1.0
]