data_[Ba4Ce2Zn4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3134]
_cell_length_b [4.1486]
_cell_length_c [7.5214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ce(ZnP2)2]
_chemical_formula_sum '[Ba4 Ce2 Zn4 P8]'
_cell_volume [449.7222]
_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
[
  Ba  Ba0  4  0.1345  0.0000  0.5721  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1737  0.5000  0.9880  1.0
  P  P3  4  0.0186  0.5000  0.7574  1.0
  P  P4  4  0.2031  0.0000  0.1786  1.0
]