data_[Cu4Si12P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [7.3412]
_cell_length_b [7.9119]
_cell_length_c [9.9587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CuSi3P4]
_chemical_formula_sum '[Cu4 Si12 P16]'
_cell_volume [578.4287]
_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
[
  Si  Si0  8  0.2500  0.2500  0.2582  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0060  1.0
  Si  Si2  4  0.0000  0.0000  0.5006  1.0
  P  P3  8  0.0000  0.2481  0.6188  1.0
  P  P4  8  0.2478  0.0000  0.8709  1.0
]