# generated using pymatgen
data_BaTlIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13279600
_cell_length_b   5.13279600
_cell_length_c   7.14291454
_cell_angle_alpha   68.94321859
_cell_angle_beta   68.94321859
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlIn3
_chemical_formula_sum   'Ba1 Tl1 In3'
_cell_volume   162.08091805
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl1  1  0.75000000  0.25000000  0.50000000  1.0
  In  In2  1  0.38271600  0.38271600  0.23456800  1.0
  In  In3  1  0.61728400  0.61728400  0.76543200  1.0
  In  In4  1  0.25000000  0.75000000  0.50000000  1.0