data_[Nd12Te6C2S4]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2366]
_cell_length_b [12.4671]
_cell_length_c [7.5909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Te3CS2]
_chemical_formula_sum '[Nd12 Te6 C2 S4]'
_cell_volume [649.7129]
_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  8  0.2213  0.1544  0.2009  1.0
  Nd  Nd1  4  0.2397  0.0000  0.7941  1.0
  Te  Te2  4  0.0000  0.1732  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  C  C4  2  0.0000  0.0000  0.0000  1.0
  S  S5  4  0.0000  0.3345  0.0000  1.0
]