data_Be2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.18
_cell_angle_alpha   138.53
_cell_angle_beta   130.7
_cell_angle_gamma   66.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BOs
_chemical_formula_sum   'Be2 B1 Os1'
_cell_volume   36.19
_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  Be1  1  0.0  0.74  0.2  1.0
  Be  Be2  1  0.0  0.0  0.78  1.0
  B  B0  1  0.0  0.0  0.34  1.0
  Os  Os3  1  0.0  0.74  0.18  1.0

data_Be2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.49
_cell_length_c   4.18
_cell_angle_alpha   114.65
_cell_angle_beta   110.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BOs
_chemical_formula_sum   'Be2 B1 Os1'
_cell_volume   36.19
_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  1  0.0  0.78  0.78  1.0
  Be  Be1  1  0.26  0.46  0.46  1.0
  B  B2  1  0.0  0.34  0.34  1.0
  Os  Os3  1  0.26  0.44  0.44  1.0

Be Be B Os
Be Be B Os 0 3 o o o 0 1 o o - 0 1 o + o 0 2 o + o 1 3 o - o 1 2 o o o 2 3 o - o 