data_[Ga2Cu4Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.9415]
_cell_length_b [6.6056]
_cell_length_c [6.4779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GaCu2SbS4]
_chemical_formula_sum '[Ga2 Cu4 Sb2 S8]'
_cell_volume [339.8202]
_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
[
  Ga  Ga0  2  0.0000  0.1819  0.0007  1.0
  Cu  Cu1  4  0.2494  0.3240  0.5017  1.0
  Sb  Sb2  2  0.0000  0.8332  0.4999  1.0
  S  S3  4  0.2236  0.3544  0.8557  1.0
  S  S4  2  0.0000  0.2054  0.3606  1.0
  S  S5  2  0.0000  0.8426  0.9240  1.0
]