data_[V12Ga8C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3875]
_cell_length_b [9.4742]
_cell_length_c [5.0685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V3Ga2C]
_chemical_formula_sum '[V12 Ga8 C4]'
_cell_volume [318.5115]
_cell_formula_units_Z [4]
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  0.1584  0.4322  0.5257  1
  V  V1  4  0.2500  0.2500  0.0000  1
  Ga  Ga2  4  0.0000  0.0613  0.7500  1
  Ga  Ga3  4  0.0000  0.2058  0.2500  1
  C  C4  4  0.0000  0.4037  0.7500  1
]