data_Sc2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   146.54
_cell_angle_beta   132.89
_cell_angle_gamma   59.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeCo
_chemical_formula_sum   'Sc2 Fe1 Co1'
_cell_volume   65.39
_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  Sc2  1  0.0  0.18  0.63  1.0
  Sc  Sc3  1  0.0  0.0  0.58  1.0
  Fe  Fe1  1  0.0  0.0  0.81  1.0
  Co  Co0  1  0.0  0.18  0.25  1.0

data_Sc2FeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.37
_cell_length_c   5.47
_cell_angle_alpha   113.56
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeCo
_chemical_formula_sum   'Sc2 Fe1 Co1'
_cell_volume   65.39
_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  0.58  0.58  1.0
  Sc  Sc1  1  0.82  0.45  0.45  1.0
  Fe  Fe2  1  0.0  0.81  0.81  1.0
  Co  Co3  1  0.82  0.06  0.06  1.0

Sc Sc Fe Co