# generated using pymatgen
data_Er3Sc2Sn3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87082974
_cell_length_b   8.87083039
_cell_length_c   6.45215660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Sc2Sn3Se
_chemical_formula_sum   'Er6 Sc4 Sn6 Se2'
_cell_volume   439.70769046
_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  0.74473450  0.74473450  0.75000000  1.0
  Er  Er1  1  0.25526550  0.00000000  0.75000000  1.0
  Er  Er2  1  0.00000000  0.25526550  0.75000000  1.0
  Er  Er3  1  0.25526550  0.25526550  0.25000000  1.0
  Er  Er4  1  0.74473450  0.00000000  0.25000000  1.0
  Er  Er5  1  1.00000000  0.74473450  0.25000000  1.0
  Sc  Sc6  1  0.66666700  0.33333300  0.00000000  1.0
  Sc  Sc7  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc8  1  0.33333300  0.66666700  0.50000000  1.0
  Sc  Sc9  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn10  1  0.39834690  0.39834690  0.75000000  1.0
  Sn  Sn11  1  0.60165310  0.00000000  0.75000000  1.0
  Sn  Sn12  1  1.00000000  0.60165310  0.75000000  1.0
  Sn  Sn13  1  0.60165310  0.60165310  0.25000000  1.0
  Sn  Sn14  1  0.39834690  0.00000000  0.25000000  1.0
  Sn  Sn15  1  0.00000000  0.39834690  0.25000000  1.0
  Se  Se16  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se17  1  0.00000000  0.00000000  0.50000000  1.0