data_[V12Cr2Ga10]
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 [Cmmm]
_cell_length_a [3.9078]
_cell_length_b [11.2280]
_cell_length_c [7.5937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [V6CrGa5]
_chemical_formula_sum '[V12 Cr2 Ga10]'
_cell_volume [333.1901]
_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  8  0.0000  0.1586  0.2335  1.0
  V  V1  4  0.0000  0.5000  0.2533  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.3285  0.5000  1.0
  Ga  Ga4  4  0.0000  0.3435  0.0000  1.0
  Ga  Ga5  2  0.0000  0.0000  0.5000  1.0
]