data_[V12Ga2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3629]
_cell_length_b [5.9235]
_cell_length_c [9.0493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V6GaSn]
_chemical_formula_sum '[V12 Ga2 Sn2]'
_cell_volume [233.8674]
_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  0.2475  0.6477  1.0
  V  V1  4  0.5000  0.2303  0.3511  1.0
  V  V2  2  0.0000  0.0000  0.3801  1.0
  V  V3  2  0.5000  0.0000  0.1199  1.0
  Ga  Ga4  2  0.5000  0.0000  0.5986  1.0
  Sn  Sn5  2  0.0000  0.0000  0.9041  1.0
]