data_[Ge4Pd14Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4739]
_cell_length_b [9.6840]
_cell_length_c [5.7088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2Pd7Se2]
_chemical_formula_sum '[Ge4 Pd14 Se4]'
_cell_volume [385.5453]
_cell_formula_units_Z [2]
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  0.0000  0.3065  0.0000  1
  Pd  Pd1  8  0.1779  0.2569  0.7070  1
  Pd  Pd2  4  0.0886  0.5000  0.3044  1
  Pd  Pd3  2  0.0000  0.0000  0.5000  1
  Se  Se4  4  0.1889  0.0000  0.2355  1
]