data_[V2B4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.0371]
_cell_length_b [4.4336]
_cell_length_c [5.7994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [VB2Mo]
_chemical_formula_sum '[V2 B4 Mo2]'
_cell_volume [78.0906]
_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
[
  V  V0  2  0.5000  0.1290  0.6766  1
  B  B1  2  0.0000  0.1357  0.9648  1
  B  B2  2  0.5000  0.3430  0.0320  1
  Mo  Mo3  2  0.0000  0.3689  0.3267  1
]