data_KSc2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   9.75
_cell_angle_alpha   100.81
_cell_angle_beta   100.81
_cell_angle_gamma   59.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Co
_chemical_formula_sum   'K1 Sc2 Co1'
_cell_volume   118.46
_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
  K  K1  1  0.84  0.0  0.4  1.0
  Sc  Sc2  1  0.36  0.0  0.39  1.0
  Sc  Sc3  1  0.96  0.0  0.89  1.0
  Co  Co0  1  0.16  0.0  0.14  1.0

data_KSc2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.81
_cell_length_c   9.75
_cell_angle_alpha   100.81
_cell_angle_beta   90.0
_cell_angle_gamma   119.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Co
_chemical_formula_sum   'K1 Sc2 Co1'
_cell_volume   118.46
_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
  K  K0  1  0.0  0.16  0.6  1.0
  Sc  Sc1  1  0.0  0.04  0.11  1.0
  Sc  Sc2  1  0.0  0.64  0.61  1.0
  Co  Co3  1  0.0  0.84  0.86  1.0

K Sc Sc Co