data_[La4Ag2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [20.5223]
_cell_length_b [4.4641]
_cell_length_c [8.3033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [La2AgAs3]
_chemical_formula_sum '[La4 Ag2 As6]'
_cell_volume [760.6911]
_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  4  0.3800  0.2270  0.5142  1
  Ag  Ag1  2  0.5000  0.0000  0.8436  1
  As  As2  4  0.3655  0.7454  0.7561  1
  As  As3  2  0.5000  0.0000  0.1890  1
]