data_[Er4Zn4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3923]
_cell_length_b [25.8679]
_cell_length_c [3.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ErZnAg3]
_chemical_formula_sum '[Er4 Zn4 Ag12]'
_cell_volume [416.6081]
_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  0.0000  0.1689  0.5000  1
  Zn  Zn1  4  0.0000  0.3783  0.0000  1
  Ag  Ag2  4  0.0000  0.0590  0.0000  1
  Ag  Ag3  4  0.0000  0.2798  0.0000  1
  Ag  Ag4  4  0.0000  0.4483  0.5000  1
]