data_[Mn6Be48Si3]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.2392]
_cell_length_b [7.2392]
_cell_length_c [10.7090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn2Be16Si]
_chemical_formula_sum '[Mn6 Be48 Si3]'
_cell_volume [486.0314]
_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  0.3385  1
  Mn  Mn1  3  0.0000  0.0000  0.6646  1
  Be  Be2  18  0.0157  0.3482  0.6666  1
  Be  Be3  9  0.0056  0.5028  0.5005  1
  Be  Be4  9  0.0058  0.5029  0.1585  1
  Be  Be5  9  0.1754  0.3509  0.1750  1
  Be  Be6  3  0.0000  0.0000  0.8940  1
  Si  Si7  3  0.0000  0.0000  0.1016  1
]