data_[Yb4P4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2191]
_cell_length_b [8.4084]
_cell_length_c [6.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [YbPPd]
_chemical_formula_sum '[Yb4 P4 Pd4]'
_cell_volume [235.9417]
_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
[
  Yb  Yb0  2  0.0000  0.1273  0.8645  1.0
  Yb  Yb1  2  0.0000  0.4146  0.4313  1.0
  P  P2  2  0.5000  0.0738  0.1711  1.0
  P  P3  2  0.5000  0.3813  0.7471  1.0
  Pd  Pd4  2  0.5000  0.1655  0.4972  1.0
  Pd  Pd5  2  0.5000  0.3434  0.1145  1.0
]