data_[Be45V6Ni6]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3400]
_cell_length_b [7.3400]
_cell_length_c [10.6952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Be15(VNi)2]
_chemical_formula_sum '[Be45 V6 Ni6]'
_cell_volume [499.0106]
_cell_formula_units_Z [3]
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  18  0.0000  0.2954  0.0000  1.0
  Be  Be1  18  0.0077  0.5039  0.1545  1.0
  Be  Be2  9  0.0000  0.5000  0.5000  1.0
  V  V3  6  0.0000  0.0000  0.3474  1.0
  Ni  Ni4  6  0.0000  0.0000  0.1090  1.0
]