# generated using pymatgen
data_SmErCI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78396267
_cell_length_b   3.78396327
_cell_length_c   14.84986199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmErCI
_chemical_formula_sum   'Sm2 Er2 C2 I2'
_cell_volume   184.13944399
_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
  Sm  Sm0  1  0.33333300  0.66666700  0.41360847  1.0
  Sm  Sm1  1  0.66666700  0.33333300  0.91360847  1.0
  Er  Er2  1  0.66666700  0.33333300  0.58433550  1.0
  Er  Er3  1  0.33333300  0.66666700  0.08433550  1.0
  C  C4  1  0.00000000  0.00000000  0.50691648  1.0
  C  C5  1  0.00000000  0.00000000  0.00691648  1.0
  I  I6  1  0.66666700  0.33333300  0.24513855  1.0
  I  I7  1  0.33333300  0.66666700  0.74513855  1.0