data_[Er4Si4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7194]
_cell_length_b [5.5189]
_cell_length_c [7.7227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ErSiPd]
_chemical_formula_sum '[Er4 Si4 Pd4]'
_cell_volume [223.4918]
_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
[
  Er  Er0  4  0.2020  0.1312  0.8753  1.0
  Si  Si1  4  0.1926  0.6290  0.0232  1.0
  Pd  Pd2  4  0.4025  0.6080  0.7929  1.0
]