data_[Nd12In2Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  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 [19.4174]
_cell_length_b [4.3503]
_cell_length_c [9.0257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6InTe3As2]
_chemical_formula_sum '[Nd12 In2 Te6 As4]'
_cell_volume [739.8084]
_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  0.0069  0.0000  0.2528  1.0
  Nd  Nd1  4  0.1668  0.5000  0.1032  1.0
  Nd  Nd2  4  0.1733  0.5000  0.5675  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1651  0.0000  0.8310  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.1681  0.0000  0.3359  1.0
]