data_[Ce1Th2Pa1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4360]
_cell_length_b [3.7040]
_cell_length_c [6.4374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeTh2PaC4]
_chemical_formula_sum '[Ce1 Th2 Pa1 C4]'
_cell_volume [144.4524]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Th  Th1  1  0.0000  0.5000  0.5000  1
  Th  Th2  1  0.5000  0.0000  0.5000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  C  C4  2  0.2335  0.5000  0.2309  1
  C  C5  2  0.2439  0.0000  0.7625  1
]