data_BeNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb
_chemical_formula_sum   'Be1 Ni1 Sb1'
_cell_volume   43.79
_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
  Ni  Ni1  1  0.9  0.09  0.0  1.0
  Sb  Sb2  1  0.0  0.19  0.76  1.0

data_BeNiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb
_chemical_formula_sum   'Be1 Ni1 Sb1'
_cell_volume   43.79
_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
  Ni  Ni1  1  0.0  0.9  0.09  1.0
  Sb  Sb2  1  0.76  0.0  0.19  1.0

Be Ni Sb
Be Ni Sb 0 1 - o o 0 2 o o - 1 2 + o - 