data_[Ce16As8P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7589]
_cell_length_b [11.7631]
_cell_length_c [8.3056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8As4P3]
_chemical_formula_sum '[Ce16 As8 P6]'
_cell_volume [813.8402]
_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
[
  Ce  Ce0  4  0.0000  0.2473  0.5000  1.0
  Ce  Ce1  4  0.0000  0.2500  0.0000  1.0
  Ce  Ce2  4  0.2465  0.0000  0.4997  1.0
  Ce  Ce3  4  0.2469  0.0000  0.9935  1.0
  As  As4  4  0.2500  0.2500  0.5000  1.0
  As  As5  2  0.0000  0.0000  0.0000  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
  P  P7  4  0.2500  0.2500  0.0000  1.0
  P  P8  2  0.0000  0.0000  0.5000  1.0
]