data_[Nd12Te8As4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7543]
_cell_length_b [13.2517]
_cell_length_c [7.6085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Te2As]
_chemical_formula_sum '[Nd12 Te8 As4]'
_cell_volume [737.4205]
_cell_formula_units_Z [4]
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  8  0.2174  0.4261  0.9958  1.0
  Nd  Nd1  4  0.2500  0.2500  0.5000  1.0
  Te  Te2  4  0.0000  0.0809  0.2500  1.0
  Te  Te3  4  0.0000  0.2419  0.7500  1.0
  As  As4  4  0.0000  0.4111  0.2500  1.0
]