data_BeZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   148.92
_cell_angle_beta   148.92
_cell_angle_gamma   44.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnBi
_chemical_formula_sum   'Be1 Zn1 Bi1'
_cell_volume   58.22
_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  0.66  1.0
  Zn  Zn2  1  0.0  0.0  0.3  1.0
  Bi  Bi1  1  0.0  0.0  0.37  1.0

data_BeZnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeZnBi
_chemical_formula_sum   'Be2 Zn2 Bi2'
_cell_volume   116.43
_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  0.16  0.5  0.66  1.0
  Zn  Zn1  2  0.3  0.0  0.3  1.0
  Bi  Bi2  2  0.37  0.0  0.37  1.0

Be Zn Bi