data_Zr2BeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   139.82
_cell_angle_beta   134.32
_cell_angle_gamma   62.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeSb
_chemical_formula_sum   'Zr2 Be1 Sb1'
_cell_volume   78.38
_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
  Zr  Zr2  1  0.0  0.0  0.5  1.0
  Zr  Zr3  1  0.91  0.0  0.49  1.0
  Be  Be0  1  0.0  0.0  0.87  1.0
  Sb  Sb1  1  0.0  0.16  0.16  1.0

data_Zr2BeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.32
_cell_length_c   5.56
_cell_angle_alpha   112.84
_cell_angle_beta   110.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeSb
_chemical_formula_sum   'Zr2 Be1 Sb1'
_cell_volume   78.38
_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
  Zr  Zr0  1  0.0  0.49  0.58  1.0
  Zr  Zr1  1  0.0  0.5  0.5  1.0
  Be  Be2  1  0.0  0.87  0.87  1.0
  Sb  Sb3  1  0.84  1.0  1.0  1.0

Zr Zr Be Sb
Zr Zr Be Sb 0 1 - o o 2 3 o o + 