data_[Zr4V2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2968]
_cell_length_b [5.4825]
_cell_length_c [5.6697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2VGa6]
_chemical_formula_sum '[Zr4 V2 Ga12]'
_cell_volume [314.0771]
_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
[
  Zr  Zr0  4  0.1386  0.5000  0.8476  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1224  0.2636  0.3311  1
  Ga  Ga3  4  0.1573  0.0000  0.7259  1
]