data_[Ce6Pa4]
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 [P6/mmm]
_cell_length_a [9.7954]
_cell_length_b [9.7954]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Ce3Pa2]
_chemical_formula_sum '[Ce6 Pa4]'
_cell_volume [1246.4157]
_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  6  0.1737  0.8263  0.5000  1
  Pa  Pa1  3  0.0000  0.5000  0.5000  1
  Pa  Pa2  1  0.0000  0.0000  0.5000  1
]