data_[Nd24Ga4S16]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0499]
_cell_length_b [13.5840]
_cell_length_c [20.7788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd6GaS4]
_chemical_formula_sum '[Nd24 Ga4 S16]'
_cell_volume [1143.1315]
_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  8  0.0000  0.0458  0.1619  1
  Nd  Nd1  8  0.0000  0.2269  0.5822  1
  Nd  Nd2  4  0.0000  0.3310  0.2500  1
  Nd  Nd3  4  0.0000  0.5000  0.0000  1
  Ga  Ga4  4  0.0000  0.3359  0.7500  1
  S  S5  8  0.0000  0.1370  0.0409  1
  S  S6  8  0.0000  0.4085  0.1243  1
]