data_[Li5Pr1Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3081]
_cell_length_b [3.3081]
_cell_length_c [16.5992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li5PrAg4]
_chemical_formula_sum '[Li5 Pr1 Ag4]'
_cell_volume [181.6575]
_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  0.5000  0.5000  0.1446  1
  Li  Li1  2  0.5000  0.5000  0.3188  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  Pr  Pr3  1  0.0000  0.0000  0.0000  1
  Ag  Ag4  2  0.0000  0.0000  0.2275  1
  Ag  Ag5  2  0.0000  0.0000  0.4095  1
]