data_[Be2V16Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [14.2222]
_cell_length_b [4.3157]
_cell_length_c [4.7780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(V4Ga)2]
_chemical_formula_sum '[Be2 V16 Ga4]'
_cell_volume [292.7110]
_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
[
  Be  Be0  2  0.0000  0.5000  0.0000  1.0
  V  V1  4  0.0452  0.0000  0.2574  1.0
  V  V2  4  0.0862  0.5000  0.5281  1.0
  V  V3  4  0.1709  0.5000  0.0996  1.0
  V  V4  4  0.2324  0.0000  0.3407  1.0
  Ga  Ga5  4  0.1450  0.0000  0.7978  1.0
]