data_[Tl1Co1As1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.6216]
_cell_length_b [5.6216]
_cell_length_c [5.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TlCoAsF6]
_chemical_formula_sum '[Tl1 Co1 As1 F6]'
_cell_volume [162.3660]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.9940  1.0
  Co  Co1  1  0.0000  0.0000  0.5087  1.0
  As  As2  1  0.6667  0.3333  0.5104  1.0
  F  F3  3  0.0123  0.7063  0.6842  1.0
  F  F4  3  0.3576  0.0970  0.3143  1.0
]