data_[Nd12Zn2Se6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2298]
_cell_length_b [12.4982]
_cell_length_c [7.3102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6ZnSe3S2]
_chemical_formula_sum '[Nd12 Zn2 Se6 S4]'
_cell_volume [623.9319]
_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  0.2492  0.1698  0.2401  1
  Nd  Nd1  4  0.2400  0.5000  0.2372  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1650  0.5000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  S  S5  4  0.0000  0.3335  0.0000  1
]