data_[Er16Al4Co2]
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/m]
_cell_length_a [17.1632]
_cell_length_b [5.2396]
_cell_length_c [6.6946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Al2Co]
_chemical_formula_sum '[Er16 Al4 Co2]'
_cell_volume [559.2368]
_cell_formula_units_Z [2]
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  0.0135  0.0000  0.7759  1.0
  Er  Er1  4  0.0970  0.5000  0.4141  1.0
  Er  Er2  4  0.1445  0.5000  0.9316  1.0
  Er  Er3  4  0.2013  0.0000  0.2696  1.0
  Al  Al4  4  0.1793  0.0000  0.6976  1.0
  Co  Co5  2  0.0000  0.5000  0.0000  1.0
]