data_[Er16Ga4Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.2404]
_cell_length_b [14.4105]
_cell_length_c [6.6713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er4GaNi2]
_chemical_formula_sum '[Er16 Ga4 Ni8]'
_cell_volume [624.9476]
_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  0.0888  0.6739  0.7685  1.0
  Er  Er1  4  0.2649  0.2381  0.9160  1.0
  Er  Er2  4  0.3077  0.0343  0.2276  1.0
  Er  Er3  4  0.3461  0.4678  0.0996  1.0
  Ga  Ga4  4  0.0684  0.1313  0.3995  1.0
  Ni  Ni5  4  0.0714  0.4127  0.6233  1.0
  Ni  Ni6  4  0.4844  0.3348  0.4658  1.0
]