data_BeNb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   128.71
_cell_angle_beta   128.71
_cell_angle_gamma   75.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Os
_chemical_formula_sum   'Be1 Nb2 Os1'
_cell_volume   60.74
_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
  Nb  Nb1  1  0.03  0.0  0.85  1.0
  Nb  Nb2  1  0.0  0.03  0.85  1.0
  Os  Os3  1  0.0  0.0  0.7  1.0

data_BeNb2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   127.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNb2Os
_chemical_formula_sum   'Be2 Nb4 Os2'
_cell_volume   121.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.16  0.01  0.17  1.0
  Os  Os2  2  0.3  0.0  0.3  1.0

Be Nb Nb Os
Be Nb Nb Os 0 2 o o - 0 1 o o - 1 2 o o o 1 3 o o o 2 3 o o o 