data_[Er4Ni3Pd1]
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 [Pmm2]
_cell_length_a [3.6489]
_cell_length_b [4.3291]
_cell_length_c [10.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4Ni3Pd]
_chemical_formula_sum '[Er4 Ni3 Pd1]'
_cell_volume [160.2476]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1415  1
  Er  Er1  1  0.0000  0.5000  0.8540  1
  Er  Er2  1  0.5000  0.0000  0.6377  1
  Er  Er3  1  0.5000  0.5000  0.3685  1
  Ni  Ni4  1  0.0000  0.0000  0.4269  1
  Ni  Ni5  1  0.0000  0.5000  0.5743  1
  Ni  Ni6  1  0.5000  0.0000  0.9170  1
  Pd  Pd7  1  0.5000  0.5000  0.0801  1
]