data_[Be3Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0751]
_cell_length_b [4.0751]
_cell_length_c [4.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Be3Os2]
_chemical_formula_sum '[Be3 Os2]'
_cell_volume [65.9465]
_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
[
  Be  Be0  2  0.3333  0.6667  0.4088  1
  Be  Be1  1  0.0000  0.0000  0.0000  1
  Os  Os2  2  0.3333  0.6667  0.9028  1
]