data_[Mn3Be51V3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2093]
_cell_length_b [7.2093]
_cell_length_c [10.5902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnBe17V]
_chemical_formula_sum '[Mn3 Be51 V3]'
_cell_volume [476.6807]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.6630  1
  Be  Be1  18  0.0314  0.3627  0.6668  1
  Be  Be2  9  0.0037  0.5019  0.1533  1
  Be  Be3  9  0.1694  0.3388  0.8356  1
  Be  Be4  9  0.1713  0.3426  0.1778  1
  Be  Be5  3  0.0000  0.0000  0.1004  1
  Be  Be6  3  0.0000  0.0000  0.8986  1
  V  V7  3  0.0000  0.0000  0.3371  1
]