# generated using pymatgen
data_TbNiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94522574
_cell_length_b   3.94522641
_cell_length_c   11.14650162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNiBr
_chemical_formula_sum   'Tb2 Ni2 Br2'
_cell_volume   150.24947315
_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  0.00000000  0.00000000  0.16516470  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.83483530  1.0
  Ni  Ni2  1  0.33333300  0.66666700  0.01652152  1.0
  Ni  Ni3  1  0.66666700  0.33333300  0.98347848  1.0
  Br  Br4  1  0.33333300  0.66666700  0.66454225  1.0
  Br  Br5  1  0.66666700  0.33333300  0.33545775  1.0