data_[Ba4Sc2Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7502]
_cell_length_b [6.2217]
_cell_length_c [11.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba2ScCo]
_chemical_formula_sum '[Ba4 Sc2 Co2]'
_cell_volume [272.9215]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.8140  1
  Ba  Ba1  2  0.0000  0.5000  0.9918  1
  Sc  Sc2  2  0.0000  0.0000  0.1613  1
  Co  Co3  2  0.0000  0.5000  0.5329  1
]