data_[K2Sr2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9476]
_cell_length_b [3.5417]
_cell_length_c [7.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KSrSc2]
_chemical_formula_sum '[K2 Sr2 Sc4]'
_cell_volume [300.8346]
_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
[
  K  K0  2  0.2569  0.0000  0.7614  1
  Sr  Sr1  2  0.4912  0.0000  0.4748  1
  Sc  Sc2  2  0.0186  0.0000  0.0449  1
  Sc  Sc3  2  0.2332  0.5000  0.2189  1
]