data_[U4Ga4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  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 [Cmcm]
_cell_length_a [3.6542]
_cell_length_b [13.9676]
_cell_length_c [9.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [UGaCoS3]
_chemical_formula_sum '[U4 Ga4 Co4 S12]'
_cell_volume [509.2162]
_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
[
  U  U0  4  0.0000  0.5000  0.0000  1
  Ga  Ga1  4  0.0000  0.2670  0.7500  1
  Co  Co2  4  0.0000  0.0313  0.2500  1
  S  S3  8  0.0000  0.1298  0.0706  1
  S  S4  4  0.0000  0.4347  0.2500  1
]