data_[Ca4Ce4Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2894]
_cell_length_b [5.1655]
_cell_length_c [11.4474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCeCo]
_chemical_formula_sum '[Ca4 Ce4 Co4]'
_cell_volume [310.9427]
_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
[
  Ca  Ca0  4  0.2183  0.0000  0.3712  1.0
  Ce  Ce1  4  0.1540  0.5000  0.1297  1.0
  Co  Co2  4  0.1103  0.0000  0.1048  1.0
]