data_ScTa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.12
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   33.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Cu
_chemical_formula_sum   'Sc1 Ta2 Cu1'
_cell_volume   71.98
_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
  Sc  Sc1  1  0.16  0.0  0.52  1.0
  Ta  Ta2  1  0.07  0.0  0.49  1.0
  Ta  Ta3  1  0.7  0.0  0.74  1.0
  Cu  Cu0  1  0.32  0.0  0.01  1.0

data_ScTa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.12
_cell_length_c   5.28
_cell_angle_alpha   112.13
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2Cu
_chemical_formula_sum   'Sc1 Ta2 Cu1'
_cell_volume   71.98
_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
  Sc  Sc0  1  0.0  0.52  0.16  1.0
  Ta  Ta1  1  0.0  0.49  0.07  1.0
  Ta  Ta2  1  0.0  0.74  0.7  1.0
  Cu  Cu3  1  0.0  0.01  0.32  1.0

Sc Ta Ta Cu