data_[Nd32Ga16S40O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.8322]
_cell_length_b [18.6113]
_cell_length_c [22.9045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [Nd4Ga2S5O4]
_chemical_formula_sum '[Nd32 Ga16 S40 O32]'
_cell_volume [2486.1581]
_cell_formula_units_Z [8]
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  0.0138  0.0714  0.5528  1
  Nd  Nd1  8  0.0161  0.5527  0.4300  1
  Nd  Nd2  8  0.0239  0.5381  0.1892  1
  Nd  Nd3  8  0.0297  0.0867  0.8158  1
  Ga  Ga4  8  0.0352  0.7330  0.2993  1
  Ga  Ga5  8  0.1325  0.2328  0.4460  1
  S  S6  8  0.0281  0.6271  0.0763  1
  S  S7  8  0.0442  0.6130  0.3080  1
  S  S8  8  0.1069  0.6821  0.5129  1
  S  S9  8  0.1686  0.6999  0.8784  1
  S  S10  8  0.1693  0.7272  0.7110  1
  O  O11  8  0.2227  0.5322  0.7506  1
  O  O12  8  0.2275  0.5224  0.8765  1
  O  O13  8  0.2290  0.5270  0.6238  1
  O  O14  8  0.2434  0.0038  1.0000  1
]