data_BeSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   133.61
_cell_angle_beta   133.61
_cell_angle_gamma   67.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSbOs2
_chemical_formula_sum   'Be1 Sb1 Os2'
_cell_volume   59.16
_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  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.91  0.02  1.0
  Os  Os1  1  0.91  0.0  0.02  1.0
  Os  Os2  1  0.0  0.0  0.04  1.0

data_BeSbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.86
_cell_angle_alpha   113.19
_cell_angle_beta   113.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSbOs2
_chemical_formula_sum   'Be1 Sb1 Os2'
_cell_volume   59.16
_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  0.0  0.0  1.0
  Sb  Sb1  1  0.9  0.91  0.9  1.0
  Os  Os2  1  0.96  0.0  0.96  1.0
  Os  Os3  1  0.98  0.0  0.9  1.0

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