data_[Al4V10Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.2413]
_cell_length_b [10.3033]
_cell_length_c [4.2040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Al2V5Mo]
_chemical_formula_sum '[Al4 V10 Mo2]'
_cell_volume [227.0273]
_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  4  0.1852  0.1174  0.5000  1.0
  V  V1  4  0.1063  0.7542  0.0000  1.0
  V  V2  4  0.1813  0.3684  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
  Mo  Mo4  2  0.0000  0.5000  0.0000  1.0
]