data_[Er8Co12Si20]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.5409]
_cell_length_b [11.0903]
_cell_length_c [5.5263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Er2Co3Si5]
_chemical_formula_sum '[Er8 Co12 Si20]'
_cell_volume [584.7478]
_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  0.2355  0.3664  0.5000  1.0
  Co  Co1  8  0.1121  0.3637  0.0000  1.0
  Co  Co2  4  0.0000  0.0000  0.2500  1.0
  Si  Si3  8  0.0000  0.2307  0.2500  1.0
  Si  Si4  8  0.1567  0.1023  0.5000  1.0
  Si  Si5  4  0.0000  0.5000  0.2500  1.0
]