data_[Er9Co21Si6]
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 [R-3m]
_cell_length_a [5.1243]
_cell_length_b [5.1243]
_cell_length_c [22.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er3Co7Si2]
_chemical_formula_sum '[Er9 Co21 Si6]'
_cell_volume [510.4989]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1414  1
  Er  Er1  3  0.0000  0.0000  0.0000  1
  Co  Co2  18  0.0020  0.5010  0.0792  1
  Co  Co3  3  -0.0000  -0.0000  0.5000  1
  Si  Si4  6  0.0000  0.0000  0.3332  1
]