data_[Nd12Sb4Te2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1703]
_cell_length_b [4.3786]
_cell_length_c [8.8564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Sb2TeAs3]
_chemical_formula_sum '[Nd12 Sb4 Te2 As6]'
_cell_volume [721.6286]
_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  0.0037  0.0000  0.7348  1.0
  Nd  Nd1  4  0.1637  0.5000  0.5919  1.0
  Nd  Nd2  4  0.1721  0.5000  0.0750  1.0
  Sb  Sb3  4  0.1661  0.0000  0.3320  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1659  0.0000  0.8335  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]