data_[V10Cr2Ga8]
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 [I4]
_cell_length_a [7.5124]
_cell_length_b [7.5124]
_cell_length_c [5.4425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [V5CrGa4]
_chemical_formula_sum '[V10 Cr2 Ga8]'
_cell_volume [307.1525]
_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  0.0801  0.7488  0.0477  1
  V  V1  2  0.0000  0.0000  0.3119  1
  Cr  Cr2  2  0.0000  0.0000  0.7997  1
  Ga  Ga3  8  0.0735  0.7130  0.5520  1
]