data_[Er8Zn4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7731]
_cell_length_b [4.2291]
_cell_length_c [10.1245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2ZnGe2]
_chemical_formula_sum '[Er8 Zn4 Ge8]'
_cell_volume [412.7800]
_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  0.0005  0.0000  0.3244  1.0
  Er  Er1  4  0.1819  0.0000  0.1031  1.0
  Zn  Zn2  4  0.2060  0.5000  0.3413  1.0
  Ge  Ge3  4  0.0381  0.5000  0.8919  1.0
  Ge  Ge4  4  0.1490  0.5000  0.5702  1.0
]