# generated using pymatgen
data_Tm4BCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34695717
_cell_length_b   12.80400894
_cell_length_c   3.77639530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4BCl6
_chemical_formula_sum   'Tm8 B2 Cl12'
_cell_volume   597.01240943
_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  0.10578294  0.08346821  0.00000000  1.0
  Tm  Tm1  1  0.60578294  0.41653179  0.00000000  1.0
  Tm  Tm2  1  0.39421706  0.58346821  0.00000000  1.0
  Tm  Tm3  1  0.89421706  0.91653179  0.00000000  1.0
  Tm  Tm4  1  0.87385288  0.14874763  0.49999900  1.0
  Tm  Tm5  1  0.37385288  0.35125237  0.49999900  1.0
  Tm  Tm6  1  0.62614612  0.64874763  0.49999900  1.0
  Tm  Tm7  1  0.12614612  0.85125237  0.49999900  1.0
  B  B8  1  0.00000000  0.00000000  0.49999900  1.0
  B  B9  1  0.50000000  0.50000000  0.49999900  1.0
  Cl  Cl10  1  0.74153535  0.07132618  0.00000000  1.0
  Cl  Cl11  1  0.47887871  0.24164439  0.00000000  1.0
  Cl  Cl12  1  0.97887871  0.25835561  0.00000000  1.0
  Cl  Cl13  1  0.24153535  0.42867382  0.00000000  1.0
  Cl  Cl14  1  0.75846465  0.57132618  0.00000000  1.0
  Cl  Cl15  1  0.02112129  0.74164439  0.00000000  1.0
  Cl  Cl16  1  0.52112129  0.75835561  0.00000000  1.0
  Cl  Cl17  1  0.25846465  0.92867382  0.00000000  1.0
  Cl  Cl18  1  0.23288031  0.18264267  0.49999900  1.0
  Cl  Cl19  1  0.73288031  0.31735733  0.49999900  1.0
  Cl  Cl20  1  0.26711969  0.68264167  0.49999900  1.0
  Cl  Cl21  1  0.76711969  0.81735733  0.49999900  1.0