data_[Y2Mg12Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9918]
_cell_length_b [6.0390]
_cell_length_c [11.8530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YMg6Fe]
_chemical_formula_sum '[Y2 Mg12 Fe2]'
_cell_volume [357.3146]
_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
[
  Y  Y0  2  0.5000  0.0000  0.1842  1
  Mg  Mg1  4  0.0000  0.2431  0.5790  1
  Mg  Mg2  4  0.5000  0.2496  0.9314  1
  Mg  Mg3  2  0.0000  0.0000  0.3447  1
  Mg  Mg4  2  0.0000  0.0000  0.8009  1
  Fe  Fe5  2  0.5000  0.0000  0.6495  1
]