data_[Er16Ga4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.1253]
_cell_length_b [20.5983]
_cell_length_c [6.2441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er4GaPd]
_chemical_formula_sum '[Er16 Ga4 Pd4]'
_cell_volume [659.2049]
_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  0.0000  0.1156  0.2067  1
  Er  Er1  4  0.0000  0.2888  0.9435  1
  Er  Er2  4  0.0000  0.3088  0.4309  1
  Er  Er3  4  0.0000  0.4429  0.1480  1
  Ga  Ga4  4  0.0000  0.1596  0.6829  1
  Pd  Pd5  4  0.0000  0.4244  0.6547  1
]