data_ScTaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCo
_chemical_formula_sum   'Sc1 Ta1 Co1'
_cell_volume   50.54
_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  0.0  0.0  0.93  1.0
  Ta  Ta2  1  0.16  0.25  0.33  1.0
  Co  Co0  1  1.0  0.49  0.0  1.0

data_ScTaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaCo
_chemical_formula_sum   'Sc1 Ta1 Co1'
_cell_volume   50.54
_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  0.93  0.0  0.0  1.0
  Ta  Ta1  1  0.33  0.16  0.25  1.0
  Co  Co2  1  0.0  1.0  0.49  1.0

Sc Ta Co