data_Ta2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   104.33
_cell_angle_beta   104.33
_cell_angle_gamma   120.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Co
_chemical_formula_sum   'Ta4 Co2'
_cell_volume   92.77
_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  Ta2  1  0.98  0.07  0.0  1.0
  Ta  Ta3  1  0.02  0.07  0.48  1.0
  Ta  Ta4  1  0.04  0.98  0.0  1.0
  Ta  Ta5  1  0.07  0.98  0.48  1.0
  Co  Co0  1  0.0  0.0  0.24  1.0
  Co  Co1  1  0.0  0.0  0.72  1.0

data_Ta2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   75.67
_cell_angle_beta   60.17
_cell_angle_gamma   60.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Co
_chemical_formula_sum   'Ta4 Co2'
_cell_volume   92.77
_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  Ta0  1  0.07  0.91  0.0  1.0
  Ta  Ta1  1  0.07  0.94  0.52  1.0
  Ta  Ta2  1  0.98  0.06  0.0  1.0
  Ta  Ta3  1  0.98  0.09  0.52  1.0
  Co  Co4  1  0.0  0.0  0.28  1.0
  Co  Co5  1  0.0  0.0  0.76  1.0

Ta Ta Ta Ta Co Co
Co Ta Ta 0 1 - - - 0 1 o - - 0 2 - o o 0 2 o o o 1 2 o + + 