data_[Ba4Ce8Zn4P16]
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 [Cmcm]
_cell_length_a [4.1782]
_cell_length_b [14.0945]
_cell_length_c [13.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCe2ZnP4]
_chemical_formula_sum '[Ba4 Ce8 Zn4 P16]'
_cell_volume [817.5238]
_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
[
  Ba  Ba0  4  0.0000  0.1097  0.7500  1.0
  Ce  Ce1  8  0.0000  0.3681  0.5567  1.0
  Zn  Zn2  4  0.0000  0.1570  0.2500  1.0
  P  P3  8  0.0000  0.2588  0.1114  1.0
  P  P4  4  0.0000  0.0000  0.0000  1.0
  P  P5  4  0.0000  0.4341  0.7500  1.0
]