data_[V6Ga8Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.4953]
_cell_length_b [5.2760]
_cell_length_c [4.9951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [V3Ga4Ni]
_chemical_formula_sum '[V6 Ga8 Ni2]'
_cell_volume [223.8862]
_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  0.2441  0.3811  0.3942  1
  V  V1  2  0.0000  0.8211  0.7037  1
  Ga  Ga2  4  0.2381  0.1160  0.9281  1
  Ga  Ga3  2  0.0000  0.3404  0.7163  1
  Ga  Ga4  2  0.0000  0.6211  0.1883  1
  Ni  Ni5  2  0.0000  0.1071  0.2625  1
]