data_[Ba2Li3Dy1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.0611]
_cell_length_b [5.0611]
_cell_length_c [12.2045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Li3DyBi4]
_chemical_formula_sum '[Ba2 Li3 Dy1 Bi4]'
_cell_volume [312.6156]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7774  1.0
  Li  Li1  2  0.0000  0.5000  0.1179  1.0
  Li  Li2  1  0.0000  0.0000  0.5000  1.0
  Dy  Dy3  1  0.5000  0.5000  0.5000  1.0
  Bi  Bi4  2  0.0000  0.5000  0.3547  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi6  1  0.5000  0.5000  0.0000  1.0
]