data_[Ag3Bi3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1612]
_cell_length_b [6.6424]
_cell_length_c [19.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ag3Bi3As4]
_chemical_formula_sum '[Ag3 Bi3 As4]'
_cell_volume [788.0097]
_cell_formula_units_Z [1]
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
[
  Ag  Ag0  2  0.1264  0.2154  0.4717  1
  Ag  Ag1  1  0.3618  0.5000  0.5608  1
  Bi  Bi2  2  0.6443  0.2564  0.4668  1
  Bi  Bi3  1  0.3487  0.0000  0.5911  1
  As  As4  2  0.9937  0.3134  0.6018  1
  As  As5  1  0.3177  0.5000  0.3865  1
  As  As6  1  0.3585  0.0000  0.3808  1
]