data_TaCoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   149.84
_cell_angle_beta   149.84
_cell_angle_gamma   43.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoBi
_chemical_formula_sum   'Ta1 Co1 Bi1'
_cell_volume   57.31
_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
  Ta  Ta2  1  0.0  0.0  0.4  1.0
  Co  Co1  1  0.0  0.0  0.88  1.0
  Bi  Bi0  1  0.0  0.0  0.07  1.0

data_TaCoBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   111.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCoBi
_chemical_formula_sum   'Ta2 Co2 Bi2'
_cell_volume   114.63
_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
  Ta  Ta0  2  0.0  0.0  0.6  1.0
  Co  Co1  2  0.0  0.0  0.12  1.0
  Bi  Bi2  2  0.0  0.0  0.93  1.0

Ta Co Bi
Ta Co Bi 0 2 o o o 1 2 o o + 