data_[Er18Tm36Mg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6627]
_cell_length_b [11.6627]
_cell_length_c [14.8249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er6Tm12Mg]
_chemical_formula_sum '[Er18 Tm36 Mg3]'
_cell_volume [1746.3123]
_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
[
  Er  Er0  18  0.0171  0.5912  0.6873  1
  Tm  Tm1  18  0.0018  0.8253  0.8127  1
  Tm  Tm2  18  0.0454  0.1945  0.4155  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
]