data_[Y12Er2Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5116]
_cell_length_b [3.6252]
_cell_length_c [11.8504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6ErZn2]
_chemical_formula_sum '[Y12 Er2 Zn4]'
_cell_volume [505.4946]
_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
[
  Y  Y0  4  0.0268  0.0000  0.3244  1
  Y  Y1  4  0.1833  0.5000  0.5888  1
  Y  Y2  4  0.1899  0.5000  0.8758  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  4  0.1487  0.5000  0.1998  1
]