data_[Er4Co8Si12]
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 [Cmcm]
_cell_length_a [9.3286]
_cell_length_b [7.2787]
_cell_length_c [5.0223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErCo2Si3]
_chemical_formula_sum '[Er4 Co8 Si12]'
_cell_volume [341.0168]
_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  0.3371  0.7500  1.0
  Co  Co1  8  0.2014  0.0000  0.0000  1.0
  Si  Si2  8  0.1862  0.2857  0.2500  1.0
  Si  Si3  4  0.0000  0.0617  0.2500  1.0
]