data_[V2Cr4Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9796]
_cell_length_b [3.0927]
_cell_length_c [6.4226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(CrGa)2]
_chemical_formula_sum '[V2 Cr4 Ga4]'
_cell_volume [131.6946]
_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  0.0000  0.0000  0.0000  1
  Cr  Cr1  4  0.1101  0.5000  0.3897  1
  Ga  Ga2  4  0.1874  0.0000  0.7796  1
]