data_[Li6Ca4Ag4]
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 [C2/m]
_cell_length_a [11.0089]
_cell_length_b [4.2937]
_cell_length_c [7.6689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(CaAg)2]
_chemical_formula_sum '[Li6 Ca4 Ag4]'
_cell_volume [330.9391]
_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  0.1429  0.5000  0.4366  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca2  4  0.1395  0.0000  0.7767  1.0
  Ag  Ag3  4  0.1395  0.0000  0.1978  1.0
]