data_[Ca6Ce4Nd2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4241]
_cell_length_b [12.8531]
_cell_length_c [7.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Ce2NdAs6]
_chemical_formula_sum '[Ca6 Ce4 Nd2 As12]'
_cell_volume [650.5682]
_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
[
  Ca  Ca0  4  0.0000  0.1643  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3334  0.0000  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  As  As4  8  0.2494  0.1702  0.2376  1.0
  As  As5  4  0.2387  0.5000  0.2373  1.0
]