data_[Er2Be2Zn22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1851]
_cell_length_b [12.2983]
_cell_length_c [6.6422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErBeZn11]
_chemical_formula_sum '[Er2 Be2 Zn22]'
_cell_volume [391.8062]
_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
[
  Er  Er0  2  0.0000  0.0000  0.0000  1
  Be  Be1  2  0.0000  0.5000  0.5000  1
  Zn  Zn2  8  0.1001  0.3937  0.2220  1
  Zn  Zn3  8  0.1893  0.1728  0.3566  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]