data_[V4Cr3Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.9632]
_cell_length_b [4.2114]
_cell_length_c [8.3045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [V4Cr3Mo]
_chemical_formula_sum '[V4 Cr3 Mo1]'
_cell_volume [103.6336]
_cell_formula_units_Z [1]
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
[
  V  V0  2  0.0000  0.5000  0.2605  1
  V  V1  1  0.0000  0.0000  0.0000  1
  V  V2  1  0.0000  0.0000  0.5000  1
  Cr  Cr3  2  0.5000  0.0000  0.2567  1
  Cr  Cr4  1  0.5000  0.5000  0.5000  1
  Mo  Mo5  1  0.5000  0.5000  0.0000  1
]