# generated using pymatgen
data_ZrScFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99568120
_cell_length_b   4.99563338
_cell_length_c   4.99563567
_cell_angle_alpha   59.99997481
_cell_angle_beta   60.00028136
_cell_angle_gamma   60.00025607
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScFe4
_chemical_formula_sum   'Zr1 Sc1 Fe4'
_cell_volume   88.15820049
_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
  Zr  Zr0  1  0.99999448  0.00000317  0.00000217  1.0
  Sc  Sc1  1  0.25000836  0.24999655  0.24999755  1.0
  Fe  Fe2  1  0.62472495  0.62472646  0.12582313  1.0
  Fe  Fe3  1  0.62472495  0.12582313  0.62472646  1.0
  Fe  Fe4  1  0.12582331  0.62472623  0.62472623  1.0
  Fe  Fe5  1  0.62472495  0.62472646  0.62472646  1.0