data_[Y4Ga1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9855]
_cell_length_b [4.3233]
_cell_length_c [10.7864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y4GaGe3]
_chemical_formula_sum '[Y4 Ga1 Ge3]'
_cell_volume [185.8558]
_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  0.8611  1.0
  Y  Y1  1  0.0000  0.5000  0.3616  1.0
  Y  Y2  1  0.5000  0.0000  0.1396  1.0
  Y  Y3  1  0.5000  0.5000  0.6383  1.0
  Ga  Ga4  1  0.5000  0.5000  0.9204  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5837  1.0
  Ge  Ge6  1  0.0000  0.5000  0.0804  1.0
  Ge  Ge7  1  0.5000  0.0000  0.4150  1.0
]