data_Ta2AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   31.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlCu
_chemical_formula_sum   'Ta2 Al1 Cu1'
_cell_volume   64.52
_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  0.55  1.0
  Ta  Ta3  1  0.99  0.0  0.5  1.0
  Al  Al0  1  0.0  0.0  0.39  1.0
  Cu  Cu1  1  0.99  0.0  0.74  1.0

data_Ta2AlCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   3.99
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2AlCu
_chemical_formula_sum   'Ta2 Al1 Cu1'
_cell_volume   64.52
_cell_formula_units_Z   1
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  1  0.45  0.0  0.45  1.0
  Ta  Ta1  1  0.5  0.0  0.5  1.0
  Al  Al2  1  0.61  0.0  0.61  1.0
  Cu  Cu3  1  0.26  0.0  0.26  1.0

Ta Ta Al Cu