data_[Li6Pr3Mg3Ag12]
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
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6323]
_cell_length_b [4.6323]
_cell_length_c [26.4904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2PrMgAg4]
_chemical_formula_sum '[Li6 Pr3 Mg3 Ag12]'
_cell_volume [492.2888]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2366  1.0
  Pr  Pr1  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Ag  Ag3  6  0.0000  0.0000  0.1255  1.0
  Ag  Ag4  6  0.0000  0.0000  0.3983  1.0
]