# generated using pymatgen
data_TmBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58400400
_cell_length_b   7.70362900
_cell_length_c   12.78434700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmBr2
_chemical_formula_sum   'Tm8 Br16'
_cell_volume   648.43133763
_cell_formula_units_Z   8
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  0.16946400  0.54757600  0.90334300  1.0
  Tm  Tm1  1  0.83053600  0.45242400  0.09665700  1.0
  Tm  Tm2  1  0.33053600  0.04757600  0.09665700  1.0
  Tm  Tm3  1  0.83053600  0.95242400  0.40334300  1.0
  Tm  Tm4  1  0.66946400  0.95242400  0.90334300  1.0
  Tm  Tm5  1  0.16946400  0.04757600  0.59665700  1.0
  Tm  Tm6  1  0.66946400  0.45242400  0.59665700  1.0
  Tm  Tm7  1  0.33053600  0.54757600  0.40334300  1.0
  Br  Br8  1  0.29614100  0.87651900  0.79394400  1.0
  Br  Br9  1  0.70385900  0.12348100  0.20605600  1.0
  Br  Br10  1  0.20385900  0.37651900  0.20605600  1.0
  Br  Br11  1  0.70385900  0.62348100  0.29394400  1.0
  Br  Br12  1  0.79614100  0.62348100  0.79394400  1.0
  Br  Br13  1  0.29614100  0.37651900  0.70605600  1.0
  Br  Br14  1  0.79614100  0.12348100  0.70605600  1.0
  Br  Br15  1  0.20385900  0.87651900  0.29394400  1.0
  Br  Br16  1  0.02489500  0.70324200  0.54253100  1.0
  Br  Br17  1  0.97510500  0.29675800  0.45746900  1.0
  Br  Br18  1  0.47510500  0.20324200  0.45746900  1.0
  Br  Br19  1  0.97510500  0.79675800  0.04253100  1.0
  Br  Br20  1  0.52489500  0.79675800  0.54253100  1.0
  Br  Br21  1  0.02489500  0.20324200  0.95746900  1.0
  Br  Br22  1  0.52489500  0.29675800  0.95746900  1.0
  Br  Br23  1  0.47510500  0.70324200  0.04253100  1.0