data_[V12Ga3Mo3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0986]
_cell_length_b [4.0986]
_cell_length_c [20.6442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [V4GaMo]
_chemical_formula_sum '[V12 Ga3 Mo3]'
_cell_volume [300.3367]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1235  1
  V  V1  6  0.0000  0.0000  0.3780  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Mo  Mo3  3  -0.0000  -0.0000  0.5000  1
]