data_[Li4Ca1Ag5]
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 [P4/mmm]
_cell_length_a [3.3366]
_cell_length_b [3.3366]
_cell_length_c [16.0725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li4CaAg5]
_chemical_formula_sum '[Li4 Ca1 Ag5]'
_cell_volume [178.9331]
_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
[
  Li  Li0  2  0.0000  0.0000  0.2219  1
  Li  Li1  2  0.0000  0.0000  0.4072  1
  Ca  Ca2  1  0.0000  0.0000  0.0000  1
  Ag  Ag3  2  0.5000  0.5000  0.1316  1
  Ag  Ag4  2  0.5000  0.5000  0.3158  1
  Ag  Ag5  1  0.5000  0.5000  0.5000  1
]