data_[Er12Co4Si12]
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 [C2/m]
_cell_length_a [10.4017]
_cell_length_b [4.1457]
_cell_length_c [13.3775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3CoSi3]
_chemical_formula_sum '[Er12 Co4 Si12]'
_cell_volume [538.1096]
_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  0.0242  0.5000  0.3793  1.0
  Er  Er1  4  0.1003  0.5000  0.9192  1.0
  Er  Er2  4  0.2472  0.5000  0.2285  1.0
  Co  Co3  4  0.2477  0.0000  0.4177  1.0
  Si  Si4  4  0.0527  0.0000  0.2419  1.0
  Si  Si5  4  0.1158  0.0000  0.0760  1.0
  Si  Si6  4  0.1388  0.0000  0.5439  1.0
]