data_[Er12Tm4Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7786]
_cell_length_b [10.5836]
_cell_length_c [6.9589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3TmAg3]
_chemical_formula_sum '[Er12 Tm4 Ag12]'
_cell_volume [720.0653]
_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  0.1827  0.5000  1
  Er  Er1  4  0.0000  0.2618  0.0000  1
  Er  Er2  4  0.1241  0.5000  0.3422  1
  Tm  Tm3  4  0.2433  0.5000  0.8526  1
  Ag  Ag4  8  0.2416  0.2419  0.7297  1
  Ag  Ag5  4  0.0728  0.0000  0.8137  1
]