data_Sc2TaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.75
_cell_angle_alpha   115.06
_cell_angle_beta   115.06
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaCo
_chemical_formula_sum   'Sc2 Ta1 Co1'
_cell_volume   72.88
_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  0.31  0.0  0.14  1.0
  Sc  Sc2  1  0.07  0.0  0.17  1.0
  Ta  Ta3  1  0.91  0.0  0.93  1.0
  Co  Co0  1  0.56  0.0  0.15  1.0

data_Sc2TaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.75
_cell_length_c   5.57
_cell_angle_alpha   115.06
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaCo
_chemical_formula_sum   'Sc2 Ta1 Co1'
_cell_volume   72.88
_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  0.14  0.31  1.0
  Sc  Sc1  1  0.0  0.17  0.07  1.0
  Ta  Ta2  1  0.0  0.93  0.91  1.0
  Co  Co3  1  0.0  0.15  0.56  1.0

Sc Sc Ta Co
Sc Sc Ta Co 0 1 o o o 0 3 o o o 1 2 - o - 