data_[Er4Sc12Co4]
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 [12.2770]
_cell_length_b [3.5331]
_cell_length_c [10.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSc3Co]
_chemical_formula_sum '[Er4 Sc12 Co4]'
_cell_volume [452.8085]
_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  0.1462  0.0000  0.0847  1
  Sc  Sc1  4  0.0601  0.0000  0.3737  1
  Sc  Sc2  4  0.0779  0.5000  0.8231  1
  Sc  Sc3  4  0.2255  0.0000  0.6363  1
  Co  Co4  4  0.0909  0.5000  0.5612  1
]