data_[Ca2Ce4Nd6As12]
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 [18.4576]
_cell_length_b [4.2487]
_cell_length_c [8.4956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCe2(NdAs2)3]
_chemical_formula_sum '[Ca2 Ce4 Nd6 As12]'
_cell_volume [648.0622]
_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  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1649  0.0000  0.3298  1.0
  Nd  Nd2  4  0.1645  0.0000  0.8347  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  As  As4  4  0.0031  0.0000  0.2537  1.0
  As  As5  4  0.1680  0.5000  0.0901  1.0
  As  As6  4  0.1691  0.5000  0.5789  1.0
]