data_[Er12Cd6Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0513]
_cell_length_b [5.2946]
_cell_length_c [11.5772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er6Cd3Ag]
_chemical_formula_sum '[Er12 Cd6 Ag2]'
_cell_volume [521.9323]
_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  0.0974  0.7500  0.8653  1
  Er  Er1  2  0.1344  0.7500  0.1582  1
  Er  Er2  2  0.1525  0.2500  0.6882  1
  Er  Er3  2  0.2441  0.7500  0.4945  1
  Er  Er4  2  0.3325  0.2500  0.3272  1
  Er  Er5  2  0.4651  0.7500  0.0847  1
  Cd  Cd6  2  0.2279  0.2500  0.0242  1
  Cd  Cd7  2  0.3948  0.7500  0.7832  1
  Cd  Cd8  2  0.4729  0.2500  0.6254  1
  Ag  Ag9  2  0.0491  0.2500  0.4068  1
]