data_[Y4Ge3Pd1]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0881]
_cell_length_b [4.1552]
_cell_length_c [10.8730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y4Ge3Pd]
_chemical_formula_sum '[Y4 Ge3 Pd1]'
_cell_volume [184.6957]
_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  0.8638  1.0
  Y  Y1  1  0.0000  0.5000  0.3601  1.0
  Y  Y2  1  0.5000  0.0000  0.1372  1.0
  Y  Y3  1  0.5000  0.5000  0.6400  1.0
  Ge  Ge4  1  0.0000  0.0000  0.5816  1.0
  Ge  Ge5  1  0.0000  0.5000  0.0849  1.0
  Ge  Ge6  1  0.5000  0.0000  0.4142  1.0
  Pd  Pd7  1  0.5000  0.5000  0.9183  1.0
]