# generated using pymatgen
data_Zr2ScTiFe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58945988
_cell_length_b   8.58945999
_cell_length_c   8.58945890
_cell_angle_alpha   33.54735544
_cell_angle_beta   33.54735600
_cell_angle_gamma   33.54736671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ScTiFe8
_chemical_formula_sum   'Zr2 Sc1 Ti1 Fe8'
_cell_volume   172.38365403
_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  0.99925907  0.99925907  0.99925907  1.0
  Zr  Zr1  1  0.50068068  0.50068068  0.50068068  1.0
  Sc  Sc2  1  0.37521889  0.37521889  0.37521889  1.0
  Ti  Ti3  1  0.87464020  0.87464020  0.87464020  1.0
  Fe  Fe4  1  0.43659975  0.93686314  0.43659975  1.0
  Fe  Fe5  1  0.93778489  0.43934333  0.93778489  1.0
  Fe  Fe6  1  0.43659975  0.43659975  0.93686314  1.0
  Fe  Fe7  1  0.93778489  0.93778489  0.43934333  1.0
  Fe  Fe8  1  0.18768835  0.18768835  0.18768835  1.0
  Fe  Fe9  1  0.68753804  0.68753804  0.68753804  1.0
  Fe  Fe10  1  0.93686314  0.43659975  0.43659975  1.0
  Fe  Fe11  1  0.43934333  0.93778489  0.93778489  1.0