data_[Ce4Sm4Pa4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9313]
_cell_length_b [3.2427]
_cell_length_c [9.4389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSmPa]
_chemical_formula_sum '[Ce4 Sm4 Pa4]'
_cell_volume [332.9862]
_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  0.1369  0.0000  0.0821  1
  Sm  Sm1  4  0.1209  0.5000  0.4126  1
  Pa  Pa2  4  0.1219  0.0000  0.7672  1
]