data_[Tl2Co4As6]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8472]
_cell_length_b [3.7873]
_cell_length_c [18.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCo2As3]
_chemical_formula_sum '[Tl2 Co4 As6]'
_cell_volume [833.9432]
_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  0.4625  0.5000  0.4021  1
  Co  Co1  2  0.0601  0.5000  0.5294  1
  Co  Co2  2  0.2071  0.0000  0.5003  1
  As  As3  2  0.0878  0.0000  0.5950  1
  As  As4  2  0.1846  0.5000  0.4317  1
  As  As5  2  0.3768  0.0000  0.5414  1
]