data_Ta5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Cu3
_chemical_formula_sum   'Ta5 Cu3'
_cell_volume   128.0
_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  0.83  0.0  0.0  1.0
  Ta  Ta4  1  0.92  0.96  0.0  1.0
  Ta  Ta5  1  0.92  0.04  0.0  1.0
  Ta  Ta6  1  0.83  0.11  0.05  1.0
  Ta  Ta7  1  0.83  0.89  0.05  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.77  0.0  0.05  1.0
  Cu  Cu2  1  0.89  0.0  0.05  1.0

data_Ta5Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   93.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Cu3
_chemical_formula_sum   'Ta5 Cu3'
_cell_volume   128.0
_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  0.92  0.96  1.0
  Ta  Ta1  1  -0.0  0.92  0.04  1.0
  Ta  Ta2  1  0.0  0.83  0.0  1.0
  Ta  Ta3  1  0.05  0.83  0.11  1.0
  Ta  Ta4  1  0.05  0.83  0.89  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0
  Cu  Cu6  1  0.05  0.77  0.0  1.0
  Cu  Cu7  1  0.05  0.89  0.0  1.0

Ta Ta Ta Ta Ta Cu Cu Cu