data_[Cr1Si4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9770]
_cell_length_b [5.6778]
_cell_length_c [6.2184]
_cell_angle_alpha [85.8783]
_cell_angle_beta [68.2878]
_cell_angle_gamma [70.7943]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr(SiP)4]
_chemical_formula_sum '[Cr1 Si4 P4]'
_cell_volume [153.9190]
_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
[
  Cr  Cr0  1  0.0027  0.0091  0.0029  1.0
  Si  Si1  1  0.2365  0.3404  0.4319  1.0
  Si  Si2  1  0.3545  0.5914  0.8805  1.0
  Si  Si3  1  0.6722  0.7710  0.2243  1.0
  Si  Si4  1  0.8431  0.9661  0.6909  1.0
  P  P5  1  0.1595  0.0112  0.3183  1.0
  P  P6  1  0.3405  0.2239  0.7577  1.0
  P  P7  1  0.6207  0.4074  0.1212  1.0
  P  P8  1  0.7636  0.6378  0.5631  1.0
]