data_[Na4Nd8Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [3.8954]
_cell_length_b [17.4855]
_cell_length_c [11.6156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaNd2GaS5]
_chemical_formula_sum '[Na4 Nd8 Ga4 S20]'
_cell_volume [791.1796]
_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
[
  Na  Na0  4  0.0000  0.2089  0.0151  1.0
  Nd  Nd1  4  0.0000  0.1171  0.6817  1.0
  Nd  Nd2  4  0.0000  0.1327  0.3093  1.0
  Ga  Ga3  4  0.0000  0.4404  0.4473  1.0
  S  S4  4  0.0000  0.0421  0.0573  1.0
  S  S5  4  0.0000  0.2891  0.6858  1.0
  S  S6  4  0.0000  0.3255  0.3495  1.0
  S  S7  4  0.0000  0.3629  0.0025  1.0
  S  S8  4  0.0000  0.4951  0.7754  1.0
]