# generated using pymatgen
data_TbCl2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30034424
_cell_length_b   5.30034467
_cell_length_c   6.81678766
_cell_angle_alpha   73.72341437
_cell_angle_beta   73.72341998
_cell_angle_gamma   66.39065337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCl2F
_chemical_formula_sum   'Tb2 Cl4 F2'
_cell_volume   165.34343315
_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
  Tb  Tb0  1  0.23168624  0.76831376  0.75000000  1.0
  Tb  Tb1  1  0.76831376  0.23168624  0.25000000  1.0
  Cl  Cl2  1  0.33786144  0.28294549  0.60684907  1.0
  Cl  Cl3  1  0.66213856  0.71705451  0.39315093  1.0
  Cl  Cl4  1  0.28294549  0.33786144  0.10684807  1.0
  Cl  Cl5  1  0.71705451  0.66213856  0.89315093  1.0
  F  F6  1  0.00000000  0.00000000  -0.00000000  1.0
  F  F7  1  0.00000000  0.00000000  0.50000000  1.0