# generated using pymatgen
data_TlInCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41782731
_cell_length_b   5.41782731
_cell_length_c   5.41190010
_cell_angle_alpha   89.96436036
_cell_angle_beta   89.96436036
_cell_angle_gamma   90.05411044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInCl3
_chemical_formula_sum   'Tl1 In1 Cl3'
_cell_volume   158.85457405
_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  0.99414300  0.99414300  0.98998000  1.0
  In  In1  1  0.50241100  0.50241100  0.51314200  1.0
  Cl  Cl2  1  0.00082800  0.50336300  0.52183300  1.0
  Cl  Cl3  1  0.50880200  0.50880200  0.01567500  1.0
  Cl  Cl4  1  0.50336300  0.00082800  0.52183300  1.0