data_[Nd6Sm4Pa2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3022]
_cell_length_b [12.6456]
_cell_length_c [7.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Sm2PaAs6]
_chemical_formula_sum '[Nd6 Sm4 Pa2 As12]'
_cell_volume [636.5413]
_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
[
  Nd  Nd0  4  0.0000  0.1691  0.5000  1
  Nd  Nd1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3340  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2424  0.1622  0.2412  1
  As  As5  4  0.2431  0.0000  0.7585  1
]