data_[Nb4Tl4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4225]
_cell_length_b [15.1269]
_cell_length_c [9.3427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NbTlCoS3]
_chemical_formula_sum '[Nb4 Tl4 Co4 S12]'
_cell_volume [483.6967]
_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
[
  Nb  Nb0  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.2507  0.2500  1.0
  Co  Co2  4  0.0000  0.4732  0.7500  1.0
  S  S3  8  0.0000  0.3832  0.5616  1.0
  S  S4  4  0.0000  0.0649  0.7500  1.0
]