data_TaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.09
_cell_angle_alpha   108.49
_cell_angle_beta   108.49
_cell_angle_gamma   34.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2
_chemical_formula_sum   'Ta2 Cr4'
_cell_volume   83.26
_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  Ta4  1  0.38  0.0  0.55  1.0
  Ta  Ta5  1  0.22  0.0  0.2  1.0
  Cr  Cr0  1  0.32  0.0  0.2  1.0
  Cr  Cr1  1  0.23  0.0  0.45  1.0
  Cr  Cr2  1  0.37  0.0  0.29  1.0
  Cr  Cr3  1  0.28  0.0  0.55  1.0

data_TaCr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.01
_cell_length_b   5.04
_cell_length_c   6.09
_cell_angle_alpha   108.49
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaCr2
_chemical_formula_sum   'Ta2 Cr4'
_cell_volume   83.26
_cell_formula_units_Z   2
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  0.42  0.33  1.0
  Cr  Cr1  2  0.0  0.43  0.58  1.0
  Cr  Cr2  2  0.0  0.48  0.67  1.0

Ta Ta Cr Cr Cr Cr