# generated using pymatgen
data_Tm5BSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86976583
_cell_length_b   6.86980530
_cell_length_c   6.86976974
_cell_angle_alpha   99.50252769
_cell_angle_beta   99.50166588
_cell_angle_gamma   132.05436056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm5BSe4
_chemical_formula_sum   'Tm5 B1 Se4'
_cell_volume   219.96407034
_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
  Tm  Tm0  1  0.40848797  0.76682972  0.17531569  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  Tm  Tm2  1  0.59151203  0.23317028  0.82468431  1.0
  Tm  Tm3  1  0.23316928  0.40848397  0.64165826  1.0
  Tm  Tm4  1  0.76683072  0.59151603  0.35834174  1.0
  B  B5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09230885  0.69495985  0.78726870  1.0
  Se  Se7  1  0.69495985  0.90769115  0.60265100  1.0
  Se  Se8  1  0.30504015  0.09230885  0.39734900  1.0
  Se  Se9  1  0.90769115  0.30504015  0.21273130  1.0