data_KScOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   7.15
_cell_angle_alpha   96.74
_cell_angle_beta   96.74
_cell_angle_gamma   33.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScOs2
_chemical_formula_sum   'K1 Sc1 Os2'
_cell_volume   98.2
_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  0.0  0.0  1.0
  Sc  Sc3  1  0.34  0.0  0.55  1.0
  Os  Os1  1  0.62  0.0  0.54  1.0
  Os  Os2  1  0.06  0.0  0.56  1.0

data_KScOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.99
_cell_length_c   7.15
_cell_angle_alpha   96.74
_cell_angle_beta   90.0
_cell_angle_gamma   106.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScOs2
_chemical_formula_sum   'K1 Sc1 Os2'
_cell_volume   98.2
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.66  0.45  1.0
  Os  Os2  1  0.0  0.38  0.46  1.0
  Os  Os3  1  0.0  0.94  0.44  1.0

K Sc Os Os