data_[La4Yb4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Yb  1.1000  1.7500  1.0840
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4833]
_cell_length_b [4.4833]
_cell_length_c [16.4237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [LaYbAs]
_chemical_formula_sum '[La4 Yb4 As4]'
_cell_volume [330.1190]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.3211  1
  Yb  Yb1  4  0.0000  0.5000  0.0000  1
  As  As2  4  0.0000  0.0000  0.1312  1
]