# generated using pymatgen
data_Er5InSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97295811
_cell_length_b   8.97355771
_cell_length_c   6.71870598
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00221818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5InSn2Se
_chemical_formula_sum   'Er10 In2 Sn4 Se2'
_cell_volume   468.49704986
_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  0.66558670  0.33231962  0.99758624  1.0
  Er  Er1  1  0.33441330  0.66673392  0.99758624  1.0
  Er  Er2  1  0.33441330  0.66673392  0.50241376  1.0
  Er  Er3  1  0.66558670  0.33231962  0.50241376  1.0
  Er  Er4  1  0.74747076  0.74894768  0.75000000  1.0
  Er  Er5  1  0.25252924  0.00147692  0.75000000  1.0
  Er  Er6  1  1.00000000  0.25225864  0.75000000  1.0
  Er  Er7  1  0.25135834  0.25131584  0.25000000  1.0
  Er  Er8  1  0.74864166  0.99995750  0.25000000  1.0
  Er  Er9  1  0.00000000  0.74861722  0.25000000  1.0
  In  In10  1  0.39832526  0.39821408  0.75000000  1.0
  In  In11  1  0.60167474  0.99988882  0.75000000  1.0
  Sn  Sn12  1  1.00000000  0.60374178  0.75000000  1.0
  Sn  Sn13  1  0.60228399  0.60138631  0.25000000  1.0
  Sn  Sn14  1  0.39771601  0.99910233  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.39709079  0.25000000  1.0
  Se  Se16  1  1.00000000  0.99994802  0.00066829  1.0
  Se  Se17  1  1.00000000  0.99994802  0.49933171  1.0