data_[Er8Sc4Co4]
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 [Pnna]
_cell_length_a [6.2627]
_cell_length_b [5.9397]
_cell_length_c [10.7742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [52]
_chemical_formula_structural [Er2ScCo]
_chemical_formula_sum '[Er8 Sc4 Co4]'
_cell_volume [400.7850]
_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  8  0.0907  0.7452  0.4113  1.0
  Sc  Sc1  4  0.0802  0.7500  0.7500  1.0
  Co  Co2  4  0.2500  0.0000  0.9062  1.0
]