data_[Ce12Pa4Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8157]
_cell_length_b [3.6245]
_cell_length_c [14.0463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3PaCo3]
_chemical_formula_sum '[Ce12 Pa4 Co12]'
_cell_volume [565.8327]
_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
[
  Ce  Ce0  4  0.0174  0.5000  0.6484  1
  Ce  Ce1  4  0.1042  0.5000  0.9286  1
  Ce  Ce2  4  0.2135  0.5000  0.2057  1
  Pa  Pa3  4  0.2200  0.0000  0.3938  1
  Co  Co4  4  0.0044  0.0000  0.2090  1
  Co  Co5  4  0.1142  0.0000  0.0653  1
  Co  Co6  4  0.1185  0.0000  0.5362  1
]