data_[Li2Sc4Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.1044]
_cell_length_b [4.5613]
_cell_length_c [10.1881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiSc2Co]
_chemical_formula_sum '[Li2 Sc4 Co2]'
_cell_volume [144.2633]
_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
[
  Li  Li0  2  0.0000  0.5000  0.8001  1
  Sc  Sc1  2  0.0000  0.0000  0.9970  1
  Sc  Sc2  2  0.0000  0.5000  0.1996  1
  Co  Co3  2  0.0000  0.0000  0.5032  1
]