data_[Cu16Ge4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1357]
_cell_length_b [5.6575]
_cell_length_c [12.4835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cu8Ge2P]
_chemical_formula_sum '[Cu16 Ge4 P2]'
_cell_volume [292.0847]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  8  0.0000  0.2414  0.3569  1.0
  Cu  Cu1  4  0.0000  0.0000  0.1833  1.0
  Cu  Cu2  4  0.0000  0.2504  0.0000  1.0
  Ge  Ge3  4  0.0000  0.5000  0.1750  1.0
  P  P4  2  0.0000  0.5000  0.5000  1.0
]