data_[Er4Sc12Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3814]
_cell_length_b [4.6374]
_cell_length_c [7.5728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSc3Co2]
_chemical_formula_sum '[Er4 Sc12 Co8]'
_cell_volume [465.9990]
_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  0.1317  0.0000  0.2162  1.0
  Sc  Sc1  4  0.0692  0.0000  0.7277  1.0
  Sc  Sc2  4  0.1285  0.5000  0.5128  1.0
  Sc  Sc3  4  0.1839  0.5000  0.9816  1.0
  Co  Co4  4  0.0015  0.5000  0.1563  1.0
  Co  Co5  4  0.2288  0.0000  0.6365  1.0
]