data_Zr2BeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   139.74
_cell_angle_beta   133.89
_cell_angle_gamma   62.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeBi
_chemical_formula_sum   'Zr2 Be1 Bi1'
_cell_volume   82.95
_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  0.63  1.0
  Zr  Zr3  1  0.0  0.21  0.26  1.0
  Be  Be0  1  0.0  0.0  0.79  1.0
  Bi  Bi1  1  0.94  0.0  0.61  1.0

data_Zr2BeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.42
_cell_length_c   5.65
_cell_angle_alpha   113.05
_cell_angle_beta   110.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeBi
_chemical_formula_sum   'Zr2 Be1 Bi1'
_cell_volume   82.95
_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  0.37  0.37  0.37  1.0
  Zr  Zr1  1  0.74  0.95  0.95  1.0
  Be  Be2  1  0.21  0.21  0.21  1.0
  Bi  Bi3  1  0.34  0.39  0.34  1.0

Zr Zr Be Bi