data_Ta2CrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   134.72
_cell_angle_beta   134.72
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrCu
_chemical_formula_sum   'Ta2 Cr1 Cu1'
_cell_volume   61.57
_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  Ta2  1  0.0  0.0  0.18  1.0
  Ta  Ta3  1  0.0  0.92  0.09  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.92  0.0  0.09  1.0

data_Ta2CrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.98
_cell_angle_alpha   112.64
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrCu
_chemical_formula_sum   'Ta2 Cr1 Cu1'
_cell_volume   61.57
_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  0.82  0.0  0.82  1.0
  Ta  Ta1  1  0.83  0.92  0.83  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.91  0.0  0.83  1.0

Ta Ta Cr Cu