data_[Ge1Pd1Se3]
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 [P1]
_cell_length_a [4.2838]
_cell_length_b [4.9130]
_cell_length_c [5.7730]
_cell_angle_alpha [92.2174]
_cell_angle_beta [109.8268]
_cell_angle_gamma [90.8221]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GePdSe3]
_chemical_formula_sum '[Ge1 Pd1 Se3]'
_cell_volume [114.1633]
_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
[
  Ge  Ge0  1  0.8821  0.0542  0.8658  1
  Pd  Pd1  1  0.3581  0.4913  0.3934  1
  Se  Se2  1  0.1189  0.5132  0.7251  1
  Se  Se3  1  0.4935  0.9968  0.4295  1
  Se  Se4  1  0.6477  0.5044  0.0762  1
]