data_[Ce2Nd1Pa1As5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1013]
_cell_length_b [5.1013]
_cell_length_c [11.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce2NdPaAs5]
_chemical_formula_sum '[Ce2 Nd1 Pa1 As5]'
_cell_volume [287.1656]
_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  2  0.5000  0.5000  0.2794  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  1  0.0000  0.0000  0.5000  1
  As  As3  2  0.0000  0.0000  0.2507  1
  As  As4  2  0.0000  0.5000  0.5000  1
  As  As5  1  0.5000  0.5000  0.0000  1
]