data_[Ce2Pa6]
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
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.2287]
_cell_length_b [6.0065]
_cell_length_c [6.8330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CePa3]
_chemical_formula_sum '[Ce2 Pa6]'
_cell_volume [748.1412]
_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  2  0.0000  0.2359  0.0007  1
  Pa  Pa1  4  0.0886  0.3808  0.2919  1
  Pa  Pa2  2  0.0000  0.2154  0.5872  1
]