data_[Y8Er4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2335]
_cell_length_b [4.3688]
_cell_length_c [10.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2ErGe2]
_chemical_formula_sum '[Y8 Er4 Ge8]'
_cell_volume [498.2733]
_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
[
  Y  Y0  4  0.0175  0.5000  0.6864  1
  Y  Y1  4  0.1820  0.5000  0.0864  1
  Er  Er2  4  0.2179  0.0000  0.3588  1
  Ge  Ge3  4  0.0280  0.0000  0.8918  1
  Ge  Ge4  4  0.1195  0.0000  0.5657  1
]