data_[Er2Mg4Ag16]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9756]
_cell_length_b [4.3156]
_cell_length_c [6.8020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(MgAg4)2]
_chemical_formula_sum '[Er2 Mg4 Ag16]'
_cell_volume [418.6433]
_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  0.5000  0.0000  1.0
  Mg  Mg1  4  0.2250  0.0000  0.6506  1.0
  Ag  Ag2  4  0.0442  0.0000  0.7232  1.0
  Ag  Ag3  4  0.0967  0.5000  0.4646  1.0
  Ag  Ag4  4  0.1421  0.0000  0.1993  1.0
  Ag  Ag5  4  0.1839  0.5000  0.9100  1.0
]