# generated using pymatgen
data_Er6I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21498753
_cell_length_b   11.21498753
_cell_length_c   12.47167281
_cell_angle_alpha   58.23546778
_cell_angle_beta   58.23546778
_cell_angle_gamma   20.28952491
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6I7
_chemical_formula_sum   'Er6 I7'
_cell_volume   459.62679595
_cell_formula_units_Z   1
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
  Er  Er0  1  0.13230200  0.13230200  0.44682100  1.0
  Er  Er1  1  0.31228700  0.31228700  0.37594100  1.0
  Er  Er2  1  0.76335500  0.76335500  0.19408500  1.0
  Er  Er3  1  0.68771300  0.68771300  0.62405900  1.0
  Er  Er4  1  0.23664500  0.23664500  0.80591500  1.0
  Er  Er5  1  0.86769800  0.86769800  0.55317900  1.0
  I  I6  1  0.61326100  0.61326100  0.93196200  1.0
  I  I7  1  0.16547300  0.16547300  0.16546400  1.0
  I  I8  1  0.83452700  0.83452700  0.83453600  1.0
  I  I9  1  0.38673900  0.38673900  0.06803800  1.0
  I  I10  1  0.05348500  0.05348500  0.72983900  1.0
  I  I11  1  0.50000000  0.50000000  0.50000000  1.0
  I  I12  1  0.94651500  0.94651500  0.27016100  1.0