data_[Y4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5250]
_cell_length_b [4.0261]
_cell_length_c [9.2861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YGe2]
_chemical_formula_sum '[Y4 Ge8]'
_cell_volume [273.6472]
_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  0.0801  0.0000  0.2210  1
  Ge  Ge1  4  0.1526  0.5000  0.9746  1
  Ge  Ge2  4  0.1832  0.0000  0.5626  1
]