data_[V6Ga8Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [7.7878]
_cell_length_b [5.3681]
_cell_length_c [5.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [V3Ga4Fe]
_chemical_formula_sum '[V6 Ga8 Fe2]'
_cell_volume [222.0371]
_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  0.2500  0.2605  0.2500  1
  V  V1  2  0.0000  0.5000  0.5000  1
  Ga  Ga2  4  0.2500  0.2423  0.7500  1
  Ga  Ga3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  2  0.0000  0.5000  0.0000  1
  Fe  Fe5  2  0.0000  0.0000  0.5000  1
]