data_[Sc6Bi2As2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4001]
_cell_length_b [3.8829]
_cell_length_c [8.4192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc3BiAsO]
_chemical_formula_sum '[Sc6 Bi2 As2 O2]'
_cell_volume [269.4090]
_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
[
  Sc  Sc0  2  0.1291  0.2500  0.8392  1.0
  Sc  Sc1  2  0.1523  0.7500  0.5112  1.0
  Sc  Sc2  2  0.4200  0.7500  0.1446  1.0
  Bi  Bi3  2  0.1689  0.2500  0.2140  1.0
  As  As4  2  0.3531  0.7500  0.8188  1.0
  O  O5  2  0.0922  0.2500  0.5855  1.0
]