data_[Er4Co36B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [7.2767]
_cell_length_b [7.2767]
_cell_length_c [10.7384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [ErCo9B4]
_chemical_formula_sum '[Er4 Co36 B16]'
_cell_volume [568.6058]
_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  0.0000  0.2483  1
  Co  Co1  16  0.1304  0.6526  0.8214  1
  Co  Co2  8  0.0930  0.1925  0.5000  1
  Co  Co3  8  0.0963  0.1953  0.0000  1
  Co  Co4  4  0.0000  0.5000  0.0000  1
  B  B5  16  0.1318  0.6758  0.3648  1
]