data_[Ce16Ge4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1059]
_cell_length_b [13.7104]
_cell_length_c [13.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce4GeP2]
_chemical_formula_sum '[Ce16 Ge4 P8]'
_cell_volume [740.8491]
_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
[
  Ce  Ce0  8  0.0000  0.2295  0.6325  1.0
  Ce  Ce1  4  0.0000  0.0535  0.2500  1.0
  Ce  Ce2  4  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  4  0.0000  0.4000  0.2500  1.0
  P  P4  8  0.0000  0.1403  0.0575  1.0
]