data_[Be1V12Ga3]
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 [Pmmm]
_cell_length_a [4.7421]
_cell_length_b [4.7484]
_cell_length_c [9.4458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Be(V4Ga)3]
_chemical_formula_sum '[Be1 V12 Ga3]'
_cell_volume [212.6922]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  V  V1  4  0.2480  0.0000  0.2595  1
  V  V2  2  0.0000  0.5000  0.1296  1
  V  V3  2  0.0000  0.5000  0.3835  1
  V  V4  2  0.5000  0.2342  0.5000  1
  V  V5  2  0.5000  0.2563  0.0000  1
  Ga  Ga6  2  0.5000  0.5000  0.2511  1
  Ga  Ga7  1  0.0000  0.0000  0.0000  1
]