# generated using pymatgen
data_TmB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97653379
_cell_length_b   7.03959467
_cell_length_c   7.03959467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmB4
_chemical_formula_sum   'Tm4 B16'
_cell_volume   197.06068348
_cell_formula_units_Z   4
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  0.00000000  0.68119388  0.18119388  1.0
  Tm  Tm1  1  0.00000000  0.31880612  0.81880612  1.0
  Tm  Tm2  1  0.00000000  0.81880612  0.68119388  1.0
  Tm  Tm3  1  0.00000000  0.18119388  0.31880612  1.0
  B  B4  1  0.50000000  0.41319044  0.08680956  1.0
  B  B5  1  0.79770000  0.50000000  0.50000000  1.0
  B  B6  1  0.50000000  0.82337817  0.96172914  1.0
  B  B7  1  0.50000000  0.53827086  0.67662183  1.0
  B  B8  1  0.20230000  0.50000000  0.50000000  1.0
  B  B9  1  0.50000000  0.46172914  0.32337817  1.0
  B  B10  1  0.20230000  -0.00000000  0.00000000  1.0
  B  B11  1  0.50000000  0.17662183  0.03827086  1.0
  B  B12  1  0.50000000  0.32337817  0.53827086  1.0
  B  B13  1  0.50000000  0.03827086  0.82337817  1.0
  B  B14  1  0.50000000  0.08680956  0.58680956  1.0
  B  B15  1  0.50000000  0.67662183  0.46172914  1.0
  B  B16  1  0.50000000  0.91319044  0.41319044  1.0
  B  B17  1  0.50000000  0.58680956  0.91319044  1.0
  B  B18  1  0.50000000  0.96172914  0.17662183  1.0
  B  B19  1  0.79770000  -0.00000000  0.00000000  1.0