# generated using pymatgen
data_Lu3CoI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07701603
_cell_length_b   8.59321140
_cell_length_c   12.14586422
_cell_angle_alpha   86.13530406
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3CoI3
_chemical_formula_sum   'Lu6 Co2 I6'
_cell_volume   424.55858333
_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
  Lu  Lu0  1  0.75000000  0.13539690  0.12267343  1.0
  Lu  Lu1  1  0.25000000  0.86460310  0.87732657  1.0
  Lu  Lu2  1  0.75000000  0.09214035  0.70140509  1.0
  Lu  Lu3  1  0.25000000  0.90785965  0.29859491  1.0
  Lu  Lu4  1  0.25000000  0.23875585  0.90575547  1.0
  Lu  Lu5  1  0.75000000  0.76124415  0.09424453  1.0
  Co  Co6  1  0.75000000  0.04379797  0.91568074  1.0
  Co  Co7  1  0.25000000  0.95620203  0.08431926  1.0
  I  I8  1  0.25000000  0.34696811  0.64152269  1.0
  I  I9  1  0.75000000  0.65303189  0.35847731  1.0
  I  I10  1  0.75000000  0.14282981  0.38527869  1.0
  I  I11  1  0.25000000  0.85717019  0.61472131  1.0
  I  I12  1  0.25000000  0.42345261  0.13269001  1.0
  I  I13  1  0.75000000  0.57654739  0.86730999  1.0