data_[Nd12Te2As6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8223]
_cell_length_b [4.2855]
_cell_length_c [8.6477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TeAs3Se2]
_chemical_formula_sum '[Nd12 Te2 As6 Se4]'
_cell_volume [676.6896]
_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  0.0018  0.0000  0.7320  1
  Nd  Nd1  4  0.1645  0.5000  0.5894  1
  Nd  Nd2  4  0.1738  0.5000  0.0791  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.1651  0.0000  0.8320  1
  As  As5  2  0.0000  0.5000  0.5000  1
  Se  Se6  4  0.1675  0.0000  0.3338  1
]