data_[Nd12Ge2Te6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  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 [19.3186]
_cell_length_b [4.3596]
_cell_length_c [8.8833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6GeTe3As2]
_chemical_formula_sum '[Nd12 Ge2 Te6 As4]'
_cell_volume [723.0696]
_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  0.0052  0.0000  0.2336  1
  Nd  Nd1  4  0.1593  0.5000  0.0973  1
  Nd  Nd2  4  0.1727  0.5000  0.5679  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1676  0.0000  0.8331  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  As  As6  4  0.1670  0.0000  0.3343  1
]