data_[Er16Al4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5087]
_cell_length_b [12.5240]
_cell_length_c [5.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4AlCo]
_chemical_formula_sum '[Er16 Al4 Co4]'
_cell_volume [595.6365]
_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  8  0.1093  0.1663  0.0456  1.0
  Er  Er1  8  0.2117  0.4213  0.3905  1.0
  Al  Al2  4  0.0000  0.3759  0.7500  1.0
  Co  Co3  4  0.0000  0.0009  0.2500  1.0
]