data_[As4Pd4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3818]
_cell_length_b [6.1505]
_cell_length_c [6.3778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsPdSe]
_chemical_formula_sum '[As4 Pd4 Se4]'
_cell_volume [244.7797]
_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
[
  As  As0  4  0.3586  0.1210  0.6413  1
  Pd  Pd1  4  0.2550  0.0060  0.2487  1
  Se  Se2  4  0.1539  0.6153  0.3420  1
]