data_BaTa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Cu
_chemical_formula_sum   'Ba1 Ta2 Cu1'
_cell_volume   87.84
_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
  Ba  Ba0  1  0.85  0.0  0.0  1.0
  Ta  Ta2  1  0.43  0.66  0.45  1.0
  Ta  Ta3  1  0.43  0.34  0.45  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_BaTa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.7
_cell_length_c   6.03
_cell_angle_alpha   118.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Cu
_chemical_formula_sum   'Ba1 Ta2 Cu1'
_cell_volume   87.84
_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
  Ba  Ba0  1  0.0  0.0  0.85  1.0
  Ta  Ta1  1  0.45  0.34  0.77  1.0
  Ta  Ta2  1  0.45  0.66  0.08  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Ba Ta Ta Cu