data_[Y4Al1Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0466]
_cell_length_b [4.1712]
_cell_length_c [16.3743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y4AlGe8]
_chemical_formula_sum '[Y4 Al1 Ge8]'
_cell_volume [276.3787]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0925  1.0
  Y  Y1  1  0.0000  0.5000  0.6086  1.0
  Y  Y2  1  0.5000  0.0000  0.8921  1.0
  Y  Y3  1  0.5000  0.5000  0.3969  1.0
  Al  Al4  1  0.0000  0.0000  0.3220  1.0
  Ge  Ge5  1  0.0000  0.0000  0.4694  1.0
  Ge  Ge6  1  0.0000  0.0000  0.7470  1.0
  Ge  Ge7  1  0.0000  0.5000  0.2316  1.0
  Ge  Ge8  1  0.0000  0.5000  0.9418  1.0
  Ge  Ge9  1  0.5000  0.0000  0.2301  1.0
  Ge  Ge10  1  0.5000  0.0000  0.5705  1.0
  Ge  Ge11  1  0.5000  0.5000  0.0434  1.0
  Ge  Ge12  1  0.5000  0.5000  0.7527  1.0
]