data_[Er4Mg12Ag4]
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 [Pnma]
_cell_length_a [9.6044]
_cell_length_b [3.8613]
_cell_length_c [12.6797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErMg3Ag]
_chemical_formula_sum '[Er4 Mg12 Ag4]'
_cell_volume [470.2321]
_cell_formula_units_Z [4]
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  0.1627  0.2500  0.0038  1.0
  Mg  Mg1  4  0.0615  0.2500  0.4145  1.0
  Mg  Mg2  4  0.0837  0.7500  0.2147  1.0
  Mg  Mg3  4  0.1635  0.7500  0.7889  1.0
  Ag  Ag4  4  0.1471  0.2500  0.6270  1.0
]