data_[Al4V4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5555]
_cell_length_b [4.4248]
_cell_length_c [6.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlVAs]
_chemical_formula_sum '[Al4 V4 As4]'
_cell_volume [203.0557]
_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
[
  Al  Al0  4  0.0523  0.5000  0.2173  1
  V  V1  4  0.1598  0.0000  0.9177  1
  As  As2  4  0.2443  0.0000  0.3216  1
]