data_[Ca2Ce10Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7410]
_cell_length_b [4.6798]
_cell_length_c [8.2787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCe5Sb4]
_chemical_formula_sum '[Ca2 Ce10 Sb8]'
_cell_volume [613.8698]
_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  2  0.0000  0.5000  0.0000  1
  Ce  Ce1  4  0.1340  0.0000  0.4522  1
  Ce  Ce2  4  0.2101  0.5000  0.8506  1
  Ce  Ce3  2  0.0000  0.5000  0.5000  1
  Sb  Sb4  4  0.0679  0.0000  0.7897  1
  Sb  Sb5  4  0.1861  0.5000  0.2505  1
]