data_[V12Ga2Mo2]
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 [Amm2]
_cell_length_a [4.2283]
_cell_length_b [6.1210]
_cell_length_c [8.5689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V6GaMo]
_chemical_formula_sum '[V12 Ga2 Mo2]'
_cell_volume [221.7739]
_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  4  0.0000  0.2482  0.1251  1.0
  V  V1  4  0.5000  0.2278  0.3745  1.0
  V  V2  2  0.0000  0.0000  0.3725  1.0
  V  V3  2  0.5000  0.0000  0.1180  1.0
  Ga  Ga4  2  0.0000  0.0000  0.8767  1.0
  Mo  Mo5  2  0.5000  0.0000  0.6340  1.0
]