data_[Al2V2Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.0361]
_cell_length_b [3.0361]
_cell_length_c [9.0718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [AlVOs]
_chemical_formula_sum '[Al2 V2 Os2]'
_cell_volume [83.6208]
_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
[
  Al  Al0  2  0.0000  0.0000  0.0012  1.0
  V  V1  2  0.0000  0.0000  0.3247  1.0
  Os  Os2  2  0.0000  0.0000  0.6741  1.0
]