data_ZrVBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.29
_cell_angle_alpha   106.29
_cell_angle_beta   106.29
_cell_angle_gamma   36.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVBi2
_chemical_formula_sum   'Zr1 V1 Bi2'
_cell_volume   92.18
_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  Zr3  1  0.67  0.0  0.12  1.0
  V  V2  1  0.31  0.0  0.66  1.0
  Bi  Bi0  1  0.04  0.0  0.33  1.0
  Bi  Bi1  1  0.34  0.0  0.46  1.0

data_ZrVBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.29
_cell_length_c   5.52
_cell_angle_alpha   106.29
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVBi2
_chemical_formula_sum   'Zr1 V1 Bi2'
_cell_volume   92.18
_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  0.12  0.67  1.0
  V  V1  1  0.0  0.66  0.31  1.0
  Bi  Bi2  1  0.0  0.33  0.04  1.0
  Bi  Bi3  1  0.0  0.46  0.34  1.0

Zr V Bi Bi
Zr V Bi Bi 0 2 + o o 1 3 o o o 1 2 o o o 2 3 o o o 