# generated using pymatgen
data_Er3CoI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11305519
_cell_length_b   8.67307845
_cell_length_c   12.14263092
_cell_angle_alpha   94.12046365
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3CoI3
_chemical_formula_sum   'Er6 Co2 I6'
_cell_volume   432.04261117
_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
  Er  Er0  1  0.75000000  0.24866244  0.59806147  1.0
  Er  Er1  1  0.25000000  0.75133756  0.40193853  1.0
  Er  Er2  1  0.75000000  0.86848771  0.62259265  1.0
  Er  Er3  1  0.25000000  0.13151229  0.37740735  1.0
  Er  Er4  1  0.75000000  0.90265009  0.19371685  1.0
  Er  Er5  1  0.25000000  0.09734991  0.80628315  1.0
  Co  Co6  1  0.75000000  0.94982826  0.41126334  1.0
  Co  Co7  1  0.25000000  0.05017174  0.58873666  1.0
  I  I8  1  0.75000000  0.42163723  0.36637483  1.0
  I  I9  1  0.25000000  0.57836277  0.63362517  1.0
  I  I10  1  0.75000000  0.85809994  0.88799098  1.0
  I  I11  1  0.25000000  0.14190006  0.11200902  1.0
  I  I12  1  0.75000000  0.35500394  0.86134867  1.0
  I  I13  1  0.25000000  0.64499606  0.13865133  1.0