data_[Y3Zn4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0769]
_cell_length_b [4.1818]
_cell_length_c [12.9874]
_cell_angle_alpha [80.7555]
_cell_angle_beta [81.2179]
_cell_angle_gamma [89.9483]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y3(ZnGe)4]
_chemical_formula_sum '[Y3 Zn4 Ge4]'
_cell_volume [215.9187]
_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  2  0.1422  0.6451  0.7138  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.2549  0.2474  0.4983  1.0
  Zn  Zn3  2  0.4467  0.9060  0.1872  1.0
  Ge  Ge4  2  0.3073  0.8077  0.3775  1.0
  Ge  Ge5  2  0.4192  0.4502  0.0972  1.0
]