data_[Sr8Nd4Ga4S20]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0068]
_cell_length_b [18.3534]
_cell_length_c [12.3538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NdGaS5]
_chemical_formula_sum '[Sr8 Nd4 Ga4 S20]'
_cell_volume [908.4878]
_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  0.1134  0.6819  1.0
  Sr  Sr1  4  0.0000  0.1206  0.3252  1.0
  Nd  Nd2  4  0.0000  0.2081  0.0266  1.0
  Ga  Ga3  4  0.0000  0.4445  0.4307  1.0
  S  S4  4  0.0000  0.0423  0.0344  1.0
  S  S5  4  0.0000  0.2948  0.6816  1.0
  S  S6  4  0.0000  0.3238  0.3658  1.0
  S  S7  4  0.0000  0.3564  0.0067  1.0
  S  S8  4  0.0000  0.4974  0.7711  1.0
]