# generated using pymatgen
data_Tm3BC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56304502
_cell_length_b   3.56304527
_cell_length_c   15.70638102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.42149728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3BC3
_chemical_formula_sum   'Tm6 B2 C6'
_cell_volume   199.39167734
_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  0.58258317  0.41741683  0.39649230  1.0
  Tm  Tm1  1  0.41741683  0.58258317  0.89649230  1.0
  Tm  Tm2  1  0.41741683  0.58258317  0.60350770  1.0
  Tm  Tm3  1  0.58258317  0.41741683  0.10350770  1.0
  Tm  Tm4  1  0.91115102  0.08884898  0.75000000  1.0
  Tm  Tm5  1  0.08884898  0.91115102  0.25000000  1.0
  B  B6  1  0.00000000  0.00000000  0.50000000  1.0
  B  B7  1  0.00000000  0.00000000  0.00000000  1.0
  C  C8  1  0.09474535  0.90525465  0.41276982  1.0
  C  C9  1  0.90525465  0.09474535  0.91276982  1.0
  C  C10  1  0.90525465  0.09474535  0.58723018  1.0
  C  C11  1  0.09474535  0.90525465  0.08723018  1.0
  C  C12  1  0.59732030  0.40267970  0.25000000  1.0
  C  C13  1  0.40267970  0.59732030  0.75000000  1.0