data_[La4Sc2Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1433]
_cell_length_b [3.6961]
_cell_length_c [12.4129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La2ScAg]
_chemical_formula_sum '[La4 Sc2 Ag2]'
_cell_volume [235.9680]
_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  0.0000  0.0000  0.0949  1.0
  La  La1  2  0.5000  0.0000  0.4100  1.0
  Sc  Sc2  2  0.0000  0.0000  0.8174  1.0
  Ag  Ag3  2  0.5000  0.0000  0.6879  1.0
]