data_[Er2Mg16Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.5108]
_cell_length_b [9.5108]
_cell_length_c [5.3615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er(Mg2Cu)4]
_chemical_formula_sum '[Er2 Mg16 Cu8]'
_cell_volume [484.9743]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0000  0.2150  0.5000  1
  Mg  Mg2  8  0.0000  0.3407  0.0000  1
  Cu  Cu3  8  0.2500  0.2500  0.2500  1
]