data_BeNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   130.63
_cell_angle_beta   130.63
_cell_angle_gamma   72.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbSb2
_chemical_formula_sum   'Be1 Nb1 Sb2'
_cell_volume   78.0
_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  0.0  0.0  0.18  1.0
  Sb  Sb2  1  0.0  0.16  0.09  1.0
  Sb  Sb3  1  0.16  0.0  0.09  1.0

data_BeNbSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   126.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNbSb2
_chemical_formula_sum   'Be2 Nb2 Sb4'
_cell_volume   156.01
_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  2  0.0  0.0  0.18  1.0
  Sb  Sb2  4  0.42  0.42  0.93  1.0

Be Nb Sb Sb
Be Nb Sb Sb 0 2 o o o 0 3 o o o 0 1 o o o 