data_TaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   152.71
_cell_angle_beta   152.71
_cell_angle_gamma   38.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo3
_chemical_formula_sum   'Ta2 Co6'
_cell_volume   97.5
_cell_formula_units_Z   2
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  Ta6  1  0.0  0.0  0.49  1.0
  Ta  Ta7  1  0.0  0.0  0.12  1.0
  Co  Co0  1  0.0  0.83  0.0  1.0
  Co  Co1  1  0.0  0.0  0.82  1.0
  Co  Co2  1  0.0  0.0  0.78  1.0
  Co  Co3  1  0.0  0.83  0.65  1.0
  Co  Co4  1  0.83  0.0  0.65  1.0
  Co  Co5  1  0.83  0.0  0.0  1.0

data_TaCo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCo3
_chemical_formula_sum   'Ta4 Co12'
_cell_volume   194.99
_cell_formula_units_Z   4
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  0.12  0.0  0.12  1.0
  Ta  Ta1  2  0.49  0.0  0.49  1.0
  Co  Co2  4  0.09  0.09  0.17  1.0
  Co  Co3  4  0.24  0.41  0.82  1.0
  Co  Co4  2  0.28  0.5  0.78  1.0
  Co  Co5  2  0.32  0.5  0.82  1.0

Ta Ta Co Co Co Co Co Co