data_[Sr8Nd4In4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1149]
_cell_length_b [17.5138]
_cell_length_c [12.7251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NdInS5]
_chemical_formula_sum '[Sr8 Nd4 In4 S20]'
_cell_volume [917.0591]
_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
[
  Sr  Sr0  4  0.0000  0.1117  0.6882  1.0
  Sr  Sr1  4  0.0000  0.1349  0.3063  1.0
  Nd  Nd2  4  0.0000  0.2144  0.0140  1.0
  In  In3  4  0.0000  0.4701  0.4522  1.0
  S  S4  4  0.0000  0.0498  0.0612  1.0
  S  S5  4  0.0000  0.2850  0.6659  1.0
  S  S6  4  0.0000  0.3189  0.3669  1.0
  S  S7  4  0.0000  0.3717  0.0004  1.0
  S  S8  4  0.0000  0.4924  0.7688  1.0
]