data_TaCr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Cu
_chemical_formula_sum   'Ta1 Cr2 Cu1'
_cell_volume   54.98
_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  Ta3  1  0.63  0.0  0.0  1.0
  Cr  Cr0  1  0.32  0.08  0.36  1.0
  Cr  Cr1  1  0.32  0.92  0.36  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_TaCr2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   111.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Cu
_chemical_formula_sum   'Ta1 Cr2 Cu1'
_cell_volume   54.98
_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  Ta0  1  -0.0  0.63  0.0  1.0
  Cr  Cr1  1  0.36  0.32  0.08  1.0
  Cr  Cr2  1  0.36  0.32  0.92  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Ta Cr Cr Cu
Ta Cr Cr Cu 0 2 o - o 0 1 o o o 0 3 + o o 1 2 o - o 1 3 o o o 2 3 o + o 