# generated using pymatgen
data_Er2Sc3S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35101950
_cell_length_b   6.35101951
_cell_length_c   11.21350531
_cell_angle_alpha   76.04819371
_cell_angle_beta   76.04819444
_cell_angle_gamma   33.63042021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Sc3S7
_chemical_formula_sum   'Er2 Sc3 S7'
_cell_volume   242.42377629
_cell_formula_units_Z   1
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  0.30188548  0.30188548  0.80682870  1.0
  Er  Er1  1  0.69811452  0.69811452  0.19317130  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc3  1  0.11133554  0.11133554  0.57450564  1.0
  Sc  Sc4  1  0.88866446  0.88866446  0.42549436  1.0
  S  S5  1  0.50000000  0.50000000  0.50000000  1.0
  S  S6  1  0.65518074  0.65518074  0.95060762  1.0
  S  S7  1  0.34481926  0.34481926  0.04939238  1.0
  S  S8  1  0.96794348  0.96794348  0.78431959  1.0
  S  S9  1  0.03205652  0.03205652  0.21568041  1.0
  S  S10  1  0.26072593  0.26072593  0.35871298  1.0
  S  S11  1  0.73927407  0.73927407  0.64128702  1.0