# generated using pymatgen
data_ZrSc2(SnIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48305188
_cell_length_b   7.48305222
_cell_length_c   7.08445416
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.21536011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2(SnIr)3
_chemical_formula_sum   'Zr2 Sc4 Sn6 Ir6'
_cell_volume   342.80566825
_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
  Zr  Zr0  1  0.99502645  0.39320561  0.25000000  1.0
  Zr  Zr1  1  0.39320561  0.99502645  0.75000000  1.0
  Sc  Sc2  1  0.39821561  0.00282262  0.25000000  1.0
  Sc  Sc3  1  0.60604375  0.60379893  0.75000000  1.0
  Sc  Sc4  1  0.60379893  0.60604375  0.25000000  1.0
  Sc  Sc5  1  0.00282262  0.39821561  0.75000000  1.0
  Sn  Sn6  1  0.27651043  0.27651043  0.50000000  1.0
  Sn  Sn7  1  0.27651043  0.27651043  0.00000000  1.0
  Sn  Sn8  1  0.72762802  0.99677511  0.99503057  1.0
  Sn  Sn9  1  0.99677511  0.72762802  0.49503057  1.0
  Sn  Sn10  1  0.72762802  0.99677511  0.50496943  1.0
  Sn  Sn11  1  0.99677511  0.72762802  0.00496943  1.0
  Ir  Ir12  1  0.66739217  0.32872803  0.50444304  1.0
  Ir  Ir13  1  0.66739217  0.32872803  0.99555696  1.0
  Ir  Ir14  1  0.32872803  0.66739217  0.00444304  1.0
  Ir  Ir15  1  0.32872803  0.66739217  0.49555696  1.0
  Ir  Ir16  1  0.00754368  0.99927385  0.75000000  1.0
  Ir  Ir17  1  0.99927385  0.00754368  0.25000000  1.0