data_LiBe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   148.05
_cell_angle_beta   129.78
_cell_angle_gamma   60.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Os
_chemical_formula_sum   'Li1 Be2 Os1'
_cell_volume   42.61
_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
  Li  Li2  1  0.0  0.0  0.95  1.0
  Be  Be0  1  0.0  0.0  0.13  1.0
  Be  Be1  1  0.3  0.0  0.94  1.0
  Os  Os3  1  0.0  0.01  0.14  1.0

data_LiBe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.01
_cell_length_c   4.73
_cell_angle_alpha   115.11
_cell_angle_beta   105.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Os
_chemical_formula_sum   'Li1 Be2 Os1'
_cell_volume   42.61
_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
  Li  Li0  1  0.05  0.05  0.05  1.0
  Be  Be1  1  0.36  0.06  0.36  1.0
  Be  Be2  1  0.87  0.87  0.87  1.0
  Os  Os3  1  0.86  0.86  0.86  1.0

Li Be Be Os
Li Be Be Os 0 3 o o + 0 1 o o + 0 2 o o o 1 3 o o o 