data_[Ca10Ce2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8201]
_cell_length_b [4.2060]
_cell_length_c [8.2298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5CeP4]
_chemical_formula_sum '[Ca10 Ce2 P8]'
_cell_volume [601.7190]
_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
[
  Ca  Ca0  4  0.1606  0.0000  0.3129  1.0
  Ca  Ca1  4  0.1692  0.0000  0.8616  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.0033  0.0000  0.7506  1.0
  P  P5  4  0.1659  0.5000  0.0915  1.0
]