data_[Si4Ge4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0535]
_cell_length_b [10.1070]
_cell_length_c [6.2668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SiGeP3]
_chemical_formula_sum '[Si4 Ge4 P12]'
_cell_volume [383.4165]
_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  4  0.0192  0.7500  0.9220  1.0
  Ge  Ge1  4  0.0000  0.0000  0.5000  1.0
  P  P2  8  0.0974  0.0659  0.9027  1.0
  P  P3  4  0.1009  0.2500  0.4192  1.0
]