# generated using pymatgen
data_TlAgBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61296219
_cell_length_b   7.61296219
_cell_length_c   7.61296313
_cell_angle_alpha   60.58479749
_cell_angle_beta   60.58479749
_cell_angle_gamma   60.58480322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgBr3
_chemical_formula_sum   'Tl2 Ag2 Br6'
_cell_volume   316.11502619
_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  0.27391600  0.27391600  0.27391600  1.0
  Tl  Tl1  1  0.77391600  0.77391600  0.77391600  1.0
  Ag  Ag2  1  0.00245000  0.00245000  0.00245000  1.0
  Ag  Ag3  1  0.50245000  0.50245000  0.50245000  1.0
  Br  Br4  1  0.80776100  0.24766800  0.69670500  1.0
  Br  Br5  1  0.69670500  0.80776100  0.24766800  1.0
  Br  Br6  1  0.24766800  0.69670500  0.80776100  1.0
  Br  Br7  1  0.30776100  0.19670500  0.74766800  1.0
  Br  Br8  1  0.19670500  0.74766800  0.30776100  1.0
  Br  Br9  1  0.74766800  0.30776100  0.19670500  1.0