data_[Er12Tm4Zn4]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2301]
_cell_length_b [8.3360]
_cell_length_c [7.5609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3TmZn]
_chemical_formula_sum '[Er12 Tm4 Zn4]'
_cell_volume [591.0045]
_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  8  0.1865  0.2042  0.2075  1
  Er  Er1  4  0.0476  0.5000  0.8079  1
  Tm  Tm2  4  0.0805  0.0000  0.7692  1
  Zn  Zn3  4  0.2318  0.0000  0.5579  1
]