data_[Er12Ni4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8679]
_cell_length_b [6.3721]
_cell_length_c [7.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3NiPd]
_chemical_formula_sum '[Er12 Ni4 Pd4]'
_cell_volume [457.7963]
_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  0.0079  0.0000  0.2300  1
  Er  Er1  4  0.1838  0.5000  0.8510  1
  Er  Er2  4  0.1997  0.5000  0.3406  1
  Ni  Ni3  4  0.0000  0.3095  0.0000  1
  Pd  Pd4  4  0.0000  0.2810  0.5000  1
]