data_BeNb2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   139.24
_cell_angle_beta   129.89
_cell_angle_gamma   66.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Sb
_chemical_formula_sum   'Be1 Nb2 Sb1'
_cell_volume   67.72
_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  0.19  1.0
  Nb  Nb1  1  0.8  0.0  0.12  1.0
  Nb  Nb2  1  0.0  0.0  0.47  1.0
  Sb  Sb3  1  0.8  0.0  0.16  1.0

data_BeNb2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.37
_cell_length_c   5.16
_cell_angle_alpha   115.05
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Sb
_chemical_formula_sum   'Be1 Nb2 Sb1'
_cell_volume   67.72
_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  0.19  0.19  1.0
  Nb  Nb1  1  0.0  0.12  0.33  1.0
  Nb  Nb2  1  0.0  0.47  0.47  1.0
  Sb  Sb3  1  0.0  0.16  0.36  1.0

Be Nb Nb Sb