data_Zr2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.57
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   92.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrBi
_chemical_formula_sum   'Zr2 Cr1 Bi1'
_cell_volume   82.88
_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  0.63  0.78  0.46  1.0
  Zr  Zr3  1  0.69  0.78  0.96  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.85  0.0  0.21  1.0

data_Zr2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.62
_cell_length_c   6.42
_cell_angle_alpha   92.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrBi
_chemical_formula_sum   'Zr2 Cr1 Bi1'
_cell_volume   82.88
_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  0.22  0.31  0.04  1.0
  Zr  Zr1  1  0.22  0.37  0.54  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.15  0.79  1.0

Zr Zr Cr Bi