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 [C2/m]
_cell_length_a [10.3219]
_cell_length_b [4.2104]
_cell_length_c [6.9355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSiPd]
_chemical_formula_sum '[Er4 Si4 Pd4]'
_cell_volume [224.1447]
_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  0.0520  0.5000  0.7920  1.0
  Si  Si1  4  0.1510  0.0000  0.2022  1.0
  Pd  Pd2  4  0.1810  0.0000  0.6148  1.0
]