data_[La2Zr2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2198]
_cell_length_b [6.1264]
_cell_length_c [6.1890]
_cell_angle_alpha [117.8833]
_cell_angle_beta [92.8235]
_cell_angle_gamma [113.1897]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaZrAg]
_chemical_formula_sum '[La2 Zr2 Ag2]'
_cell_volume [154.0238]
_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
[
  La  La0  2  0.3378  0.6565  0.4321  1
  Zr  Zr1  2  0.0728  0.0977  0.7889  1
  Ag  Ag2  2  0.3276  0.7256  0.9588  1
]