data_[Tl2Co2Ir2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0303]
_cell_length_b [3.6244]
_cell_length_c [9.3136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCoIrS3]
_chemical_formula_sum '[Tl2 Co2 Ir2 S6]'
_cell_volume [245.0863]
_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
[
  Tl  Tl0  2  0.2517  0.2500  0.2770  1.0
  Co  Co1  2  0.0855  0.2500  0.6057  1.0
  Ir  Ir2  2  0.3152  0.7500  0.8413  1.0
  S  S3  2  0.1201  0.2500  0.8536  1.0
  S  S4  2  0.2110  0.7500  0.5541  1.0
  S  S5  2  0.4740  0.7500  0.1258  1.0
]