data_[K4Sc2Ti2As4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2170]
_cell_length_b [4.3014]
_cell_length_c [17.0829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K2ScTiAs2O]
_chemical_formula_sum '[K4 Sc2 Ti2 As4 O2]'
_cell_volume [309.8668]
_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  4  0.0000  0.0000  0.1791  1
  Sc  Sc1  2  0.0000  0.5000  0.0000  1
  Ti  Ti2  2  0.0000  0.5000  0.5000  1
  As  As3  4  0.0000  0.0000  0.3950  1
  O  O4  2  0.0000  0.0000  0.0000  1
]