data_ZrCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   6.71
_cell_angle_alpha   106.87
_cell_angle_beta   106.87
_cell_angle_gamma   58.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoBi2
_chemical_formula_sum   'Zr1 Co1 Bi2'
_cell_volume   91.97
_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  0.47  0.0  0.16  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.82  0.0  0.3  1.0
  Bi  Bi1  1  0.12  0.0  0.03  1.0

data_ZrCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.12
_cell_length_c   6.71
_cell_angle_alpha   106.87
_cell_angle_beta   90.0
_cell_angle_gamma   119.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoBi2
_chemical_formula_sum   'Zr1 Co1 Bi2'
_cell_volume   91.97
_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  0.53  0.84  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.18  0.7  1.0
  Bi  Bi3  1  0.0  0.88  0.97  1.0

Zr Co Bi Bi