data_[Y12V4B28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4406]
_cell_length_b [15.9435]
_cell_length_c [9.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3VB7]
_chemical_formula_sum '[Y12 V4 B28]'
_cell_volume [517.3860]
_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
[
  Y  Y0  8  0.0000  0.1060  0.0599  1
  Y  Y1  4  0.0000  0.2426  0.7500  1
  V  V2  4  0.0000  0.0531  0.7500  1
  B  B3  8  0.0000  0.2733  0.0320  1
  B  B4  8  0.0000  0.3678  0.1494  1
  B  B5  8  0.0000  0.4790  0.0949  1
  B  B6  4  0.0000  0.4590  0.7500  1
]