data_[Er13Zn2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5694]
_cell_length_b [8.2962]
_cell_length_c [8.7352]
_cell_angle_alpha [66.0915]
_cell_angle_beta [78.6448]
_cell_angle_gamma [82.4595]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er13Zn2]
_chemical_formula_sum '[Er13 Zn2]'
_cell_volume [425.9978]
_cell_formula_units_Z [1]
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  0.1211  0.4775  0.7310  1.0
  Er  Er1  2  0.1948  0.2343  0.1469  1.0
  Er  Er2  2  0.2402  0.9461  0.5716  1.0
  Er  Er3  2  0.3084  0.6608  0.9664  1.0
  Er  Er4  2  0.3587  0.4105  0.3899  1.0
  Er  Er5  2  0.4953  0.8578  0.2070  1.0
  Er  Er6  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn7  2  0.0581  0.7674  0.3805  1.0
]