data_[V6Ga4Mo4]
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 [C2/m]
_cell_length_a [9.6790]
_cell_length_b [3.2294]
_cell_length_c [6.6575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3(GaMo)2]
_chemical_formula_sum '[V6 Ga4 Mo4]'
_cell_volume [204.9336]
_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  0.2161  0.5000  0.1439  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1381  0.0000  0.4162  1.0
  Mo  Mo3  4  0.0839  0.5000  0.7232  1.0
]