data_[Y8Er12Mg2]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.4785]
_cell_length_b [6.4785]
_cell_length_c [16.9017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Y4Er6Mg]
_chemical_formula_sum '[Y8 Er12 Mg2]'
_cell_volume [709.3716]
_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  8  0.1762  0.1762  0.8638  1
  Er  Er1  8  0.1823  0.1823  0.6663  1
  Er  Er2  4  0.0000  0.5000  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
]