data_YScTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   141.28
_cell_angle_beta   134.31
_cell_angle_gamma   61.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScTa2
_chemical_formula_sum   'Y1 Sc1 Ta2'
_cell_volume   86.57
_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
  Y  Y3  1  0.0  0.0  0.99  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.92  0.0  0.45  1.0
  Ta  Ta2  1  0.0  0.25  0.54  1.0

data_YScTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.51
_cell_length_c   5.8
_cell_angle_alpha   112.85
_cell_angle_beta   109.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScTa2
_chemical_formula_sum   'Y1 Sc1 Ta2'
_cell_volume   86.57
_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
  Y  Y0  1  0.0  0.99  0.99  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.45  0.53  1.0
  Ta  Ta3  1  0.75  0.29  0.29  1.0

Y Sc Ta Ta