data_[Y1Er3Fe34]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.4646]
_cell_length_b [8.4646]
_cell_length_c [8.2460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [YEr3Fe34]
_chemical_formula_sum '[Y1 Er3 Fe34]'
_cell_volume [511.6688]
_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
[
  Y  Y0  1  0.3333  0.6667  0.5000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.6667  0.3333  0.0000  1
  Er  Er3  1  0.6667  0.3333  0.5000  1
  Fe  Fe4  6  0.0333  0.3708  0.0000  1
  Fe  Fe5  6  0.1664  0.8336  0.2496  1
  Fe  Fe6  6  0.2989  0.0044  0.5000  1
  Fe  Fe7  6  0.3348  0.1674  0.2350  1
  Fe  Fe8  6  0.5011  0.0022  0.2646  1
  Fe  Fe9  2  0.0000  0.0000  0.3562  1
  Fe  Fe10  2  0.3333  0.6667  0.1431  1
]