data_BeNb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.29
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   100.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Os
_chemical_formula_sum   'Be1 Nb2 Os1'
_cell_volume   61.29
_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  0.58  0.0  0.72  1.0
  Nb  Nb1  1  0.09  0.15  0.47  1.0
  Nb  Nb2  1  0.03  0.0  0.52  1.0
  Os  Os3  1  0.68  0.15  0.21  1.0

data_BeNb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.29
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   100.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Os
_chemical_formula_sum   'Be1 Nb2 Os1'
_cell_volume   61.29
_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  0.58  0.0  0.72  1.0
  Nb  Nb1  1  0.03  0.0  0.52  1.0
  Nb  Nb2  1  0.09  0.15  0.47  1.0
  Os  Os3  1  0.68  0.15  0.21  1.0

Be Nb Nb Os