data_[Yb2Al4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [20.8893]
_cell_length_b [4.2067]
_cell_length_c [7.9016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YbAl2As3]
_chemical_formula_sum '[Yb2 Al4 As6]'
_cell_volume [694.3573]
_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
[
  Yb  Yb0  2  0.0000  0.0000  0.2644  1
  Al  Al1  4  0.1080  0.0000  0.9510  1
  As  As2  4  0.1410  0.0000  0.2758  1
  As  As3  2  0.0000  0.0000  0.5820  1
]