data_[Ge12P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4344]
_cell_length_b [9.7589]
_cell_length_c [19.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ge3P4]
_chemical_formula_sum '[Ge12 P16]'
_cell_volume [1769.9631]
_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
[
  Ge  Ge0  4  0.2433  0.2745  0.4689  1
  Ge  Ge1  4  0.4905  0.1358  0.5757  1
  Ge  Ge2  2  0.1806  0.0000  0.5764  1
  Ge  Ge3  2  0.3956  0.5000  0.5730  1
  P  P4  4  0.2510  0.2803  0.5954  1
  P  P5  4  0.4870  0.1783  0.4529  1
  P  P6  2  0.0209  0.0000  0.3757  1
  P  P7  2  0.1986  0.0000  0.4472  1
  P  P8  2  0.3496  0.5000  0.4483  1
  P  P9  2  0.4111  0.0000  0.3934  1
]