data_[Nd2Ga2Pb2S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6585]
_cell_length_b [6.6793]
_cell_length_c [8.0674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdGaPbS4]
_chemical_formula_sum '[Nd2 Ga2 Pb2 S8]'
_cell_volume [343.2203]
_cell_formula_units_Z [2]
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  2  0.2290  0.2500  0.5597  1
  Ga  Ga1  2  0.2357  0.7500  0.3097  1
  Pb  Pb2  2  0.2541  0.2500  0.0705  1
  S  S3  4  0.0023  0.0080  0.2623  1
  S  S4  2  0.4344  0.7500  0.5940  1
  S  S5  2  0.4354  0.7500  0.1271  1
]