data_[Nd8In4Cu4S20]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9060]
_cell_length_b [16.5675]
_cell_length_c [11.6385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2InCuS5]
_chemical_formula_sum '[Nd8 In4 Cu4 S20]'
_cell_volume [753.1602]
_cell_formula_units_Z [4]
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  0.0000  0.1116  0.6864  1.0
  Nd  Nd1  4  0.0000  0.1214  0.3012  1.0
  In  In2  4  0.0000  0.1924  0.0012  1.0
  Cu  Cu3  4  0.0000  0.4998  0.4832  1.0
  S  S4  4  0.0000  0.0433  0.0622  1.0
  S  S5  4  0.0000  0.2887  0.6600  1.0
  S  S6  4  0.0000  0.3000  0.3442  1.0
  S  S7  4  0.0000  0.3538  0.9982  1.0
  S  S8  4  0.0000  0.4963  0.2875  1.0
]