# generated using pymatgen
data_TmBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62952401
_cell_length_b   3.62952401
_cell_length_c   9.89698800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmBr
_chemical_formula_sum   'Tm2 Br2'
_cell_volume   112.91015981
_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
  Tm  Tm0  1  0.66666700  0.33333300  0.83133800  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.33133800  1.0
  Br  Br2  1  0.66666700  0.33333300  0.54366200  1.0
  Br  Br3  1  0.33333300  0.66666700  0.04366200  1.0