data_[Pr2Lu2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Lu  1.2700  1.7500  1.0010
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6386]
_cell_length_b [3.6386]
_cell_length_c [12.6112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PrLuAg]
_chemical_formula_sum '[Pr2 Lu2 Ag2]'
_cell_volume [166.9609]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0096  1.0
  Lu  Lu1  2  0.0000  0.0000  0.3080  1.0
  Ag  Ag2  2  0.0000  0.0000  0.6825  1.0
]