data_[Y18Er36Mg3]
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 [R-3m]
_cell_length_a [12.9142]
_cell_length_b [12.9142]
_cell_length_c [12.6480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y6Er12Mg]
_chemical_formula_sum '[Y18 Er36 Mg3]'
_cell_volume [1826.7937]
_cell_formula_units_Z [3]
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  18  0.0907  0.1815  0.7704  1
  Er  Er1  18  0.0000  0.2610  0.0000  1
  Er  Er2  18  0.0486  0.5243  0.1176  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
]