# generated using pymatgen
data_CsTlBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86863132
_cell_length_b   5.86863132
_cell_length_c   5.86729503
_cell_angle_alpha   89.99558767
_cell_angle_beta   89.99558767
_cell_angle_gamma   90.00080081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTlBr3
_chemical_formula_sum   'Cs1 Tl1 Br3'
_cell_volume   202.07453033
_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
  Cs  Cs0  1  0.00187400  0.00187400  0.99525700  1.0
  Tl  Tl1  1  0.50404700  0.50404700  0.48418200  1.0
  Br  Br2  1  0.50457700  0.00157200  0.48628700  1.0
  Br  Br3  1  0.49501700  0.49501700  0.98507300  1.0
  Br  Br4  1  0.00157200  0.50457700  0.48628700  1.0