# generated using pymatgen
data_TbCuI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11188053
_cell_length_b   4.11188106
_cell_length_c   11.77811266
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCuI
_chemical_formula_sum   'Tb2 Cu2 I2'
_cell_volume   172.45959067
_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  0.15620185  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.84379815  1.0
  Cu  Cu2  1  0.33333300  0.66666700  0.00256204  1.0
  Cu  Cu3  1  0.66666700  0.33333300  0.99743796  1.0
  I  I4  1  0.33333300  0.66666700  0.66435763  1.0
  I  I5  1  0.66666700  0.33333300  0.33564237  1.0