data_[Lu1Be1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9885]
_cell_length_b [3.9885]
_cell_length_c [3.5972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LuBeOs]
_chemical_formula_sum '[Lu1 Be1 Os1]'
_cell_volume [49.5578]
_cell_formula_units_Z [1]
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
[
  Lu  Lu0  1  0.3333  0.6667  0.5000  1
  Be  Be1  1  0.6667  0.3333  0.0000  1
  Os  Os2  1  0.0000  0.0000  0.0000  1
]