data_CaCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   4.62
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoBi2
_chemical_formula_sum   'Ca1 Co1 Bi2'
_cell_volume   108.07
_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
  Ca  Ca2  1  0.91  0.0  0.29  1.0
  Co  Co3  1  0.05  0.31  0.61  1.0
  Bi  Bi0  1  0.11  0.0  0.96  1.0
  Bi  Bi1  1  0.74  0.31  1.0  1.0

data_CaCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.62
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   103.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoBi2
_chemical_formula_sum   'Ca1 Co1 Bi2'
_cell_volume   108.07
_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
  Ca  Ca0  1  0.91  0.0  0.29  1.0
  Co  Co1  1  0.05  0.31  0.61  1.0
  Bi  Bi2  1  0.11  0.0  0.96  1.0
  Bi  Bi3  1  0.74  0.31  1.0  1.0

Ca Co Bi Bi