# generated using pymatgen
data_TlCoCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89499275
_cell_length_b   6.89521701
_cell_length_c   5.91675637
_cell_angle_alpha   89.99973582
_cell_angle_beta   89.99989278
_cell_angle_gamma   119.99847909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoCl3
_chemical_formula_sum   'Tl2 Co2 Cl6'
_cell_volume   243.61427190
_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  1  0.66666818  0.33333652  0.74998536  1.0
  Tl  Tl1  1  0.33333185  0.66666356  0.25001463  1.0
  Co  Co2  1  0.00000001  0.00000001  0.00000027  1.0
  Co  Co3  1  0.00000004  0.00000002  0.49999974  1.0
  Cl  Cl4  1  0.16182567  0.83815955  0.75000121  1.0
  Cl  Cl5  1  0.67633266  0.83815960  0.75000072  1.0
  Cl  Cl6  1  0.83816623  0.67633242  0.24999827  1.0
  Cl  Cl7  1  0.83817368  0.16183965  0.24999878  1.0
  Cl  Cl8  1  0.16183465  0.32366777  0.75000172  1.0
  Cl  Cl9  1  0.32366701  0.16184091  0.24999930  1.0