data_[Ce4Nd2Sc6As12]
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
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0879]
_cell_length_b [12.2705]
_cell_length_c [7.0121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd(ScAs2)3]
_chemical_formula_sum '[Ce4 Nd2 Sc6 As12]'
_cell_volume [574.0778]
_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  4  0.0000  0.3331  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.0000  0.1656  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  As  As4  8  0.2412  0.3314  0.7293  1.0
  As  As5  4  0.2465  0.0000  0.7284  1.0
]