data_[Ge4As4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5388]
_cell_length_b [3.2876]
_cell_length_c [5.7849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GeAsPd]
_chemical_formula_sum '[Ge4 As4 Pd4]'
_cell_volume [214.1322]
_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
[
  Ge  Ge0  4  0.1436  0.0000  0.1289  1
  As  As1  4  0.1441  0.0000  0.6510  1
  Pd  Pd2  4  0.0076  0.5000  0.2541  1
]