data_[Ba3Li2Ca2Ag4]
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
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9409]
_cell_length_b [4.9409]
_cell_length_c [17.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Li2(CaAg2)2]
_chemical_formula_sum '[Ba3 Li2 Ca2 Ag4]'
_cell_volume [372.8564]
_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  0.0000  0.2599  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.3333  0.6667  0.8679  1.0
  Ca  Ca3  2  0.3333  0.6667  0.4358  1.0
  Ag  Ag4  2  0.3333  0.6667  0.1286  1.0
  Ag  Ag5  2  0.3333  0.6667  0.6238  1.0
]