data_TaCrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCo
_chemical_formula_sum   'Ta4 Cr4 Co4'
_cell_volume   158.15
_cell_formula_units_Z   4
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  Ta0  1  0.47  0.0  0.49  1.0
  Ta  Ta1  1  0.49  0.0  0.75  1.0
  Ta  Ta2  1  0.52  0.0  0.75  1.0
  Ta  Ta3  1  0.53  0.0  0.49  1.0
  Cr  Cr4  1  0.0  0.0  0.39  1.0
  Cr  Cr5  1  0.0  0.83  0.81  1.0
  Cr  Cr6  1  0.0  0.17  0.81  1.0
  Cr  Cr7  1  0.0  0.0  0.79  1.0
  Co  Co8  1  0.96  0.0  0.2  1.0
  Co  Co9  1  0.05  0.0  0.2  1.0
  Co  Co10  1  0.0  0.19  0.38  1.0
  Co  Co11  1  0.0  0.81  0.38  1.0

data_TaCrCo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.76
_cell_length_b   8.0
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   119.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaCrCo
_chemical_formula_sum   'Ta4 Cr4 Co4'
_cell_volume   158.15
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ta0  2  0.0  0.47  0.51  1.0
  Ta  Ta1  2  0.0  0.49  0.25  1.0
  Cr  Cr2  1  0.0  0.0  0.21  1.0
  Cr  Cr3  1  0.0  0.0  0.61  1.0
  Cr  Cr4  1  0.17  0.0  0.19  1.0
  Cr  Cr5  1  0.83  0.0  0.19  1.0
  Co  Co6  2  0.0  0.04  0.8  1.0
  Co  Co7  1  0.19  0.0  0.62  1.0
  Co  Co8  1  0.81  0.0  0.62  1.0

Ta Ta Ta Ta Cr Cr Cr Cr Co Co Co Co
Ta Ta Ta Ta Cr Cr Cr Cr Co Co Co Co 0 3 o o o 1 2 o o o 4 8 - o o 4 11 o - o 4 9 o o o 4 10 o o o 5 7 o + o 6 7 o o o 8 9 + o o 8 11 + - o 9 11 o - o 