data_[Ga8Co4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [7.0470]
_cell_length_b [7.0470]
_cell_length_c [10.0136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Ga2CoS4]
_chemical_formula_sum '[Ga8 Co4 S16]'
_cell_volume [497.2848]
_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
[
  Ga  Ga0  4  0.2420  0.5000  0.2500  1
  Ga  Ga1  4  0.2452  0.2452  0.8750  1
  Co  Co2  4  0.0000  0.2480  0.5000  1
  S  S3  8  0.0195  0.2325  0.2709  1
  S  S4  8  0.2353  0.4719  0.4966  1
]