data_[Li4Ca12Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [6.5574]
_cell_length_b [9.2663]
_cell_length_c [11.7606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2Ca6Ag]
_chemical_formula_sum '[Li4 Ca12 Ag2]'
_cell_volume [622.6818]
_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
[
  Li  Li0  4  0.3596  0.1118  0.7441  1
  Ca  Ca1  4  0.1081  0.0338  0.2238  1
  Ca  Ca2  4  0.1619  0.6751  0.0594  1
  Ca  Ca3  4  0.4443  0.1788  0.0508  1
  Ag  Ag4  2  0.5000  0.0000  0.5000  1
]