data_[Ba2Ag2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8221]
_cell_length_b [7.0862]
_cell_length_c [7.1050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaAgBi3]
_chemical_formula_sum '[Ba2 Ag2 Bi6]'
_cell_volume [343.4728]
_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
[
  Ba  Ba0  2  0.0000  0.7376  0.9624  1.0
  Ag  Ag1  2  0.0000  0.1203  0.6291  1.0
  Bi  Bi2  4  0.2477  0.7863  0.4763  1.0
  Bi  Bi3  2  0.0000  0.4080  0.3340  1.0
]