data_[Er16Mg4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2834]
_cell_length_b [5.4492]
_cell_length_c [6.9612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Mg2Ru]
_chemical_formula_sum '[Er16 Mg4 Ru2]'
_cell_volume [610.1668]
_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
[
  Er  Er0  4  0.0140  0.0000  0.7765  1.0
  Er  Er1  4  0.1030  0.5000  0.4031  1.0
  Er  Er2  4  0.1427  0.5000  0.9228  1.0
  Er  Er3  4  0.1913  0.0000  0.2471  1.0
  Mg  Mg4  4  0.1848  0.0000  0.6934  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]