data_[Zr6Be27Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5342]
_cell_length_b [4.5342]
_cell_length_c [21.6775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr2Be9Os]
_chemical_formula_sum '[Zr6 Be27 Os3]'
_cell_volume [385.9556]
_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
[
  Zr  Zr0  6  0.0000  0.0000  0.1403  1
  Be  Be1  18  0.0018  0.5009  0.0761  1
  Be  Be2  6  0.0000  0.0000  0.3339  1
  Be  Be3  3  -0.0000  -0.0000  0.5000  1
  Os  Os4  3  0.0000  0.0000  0.0000  1
]