data_KAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.46
_cell_angle_alpha   99.35
_cell_angle_beta   99.35
_cell_angle_gamma   33.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAsOs2
_chemical_formula_sum   'K1 As1 Os2'
_cell_volume   80.95
_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  0.82  0.0  0.04  1.0
  As  As0  1  0.59  0.0  0.69  1.0
  Os  Os2  1  0.13  0.0  0.38  1.0
  Os  Os3  1  0.32  0.0  0.35  1.0

data_KAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.25
_cell_length_c   5.46
_cell_angle_alpha   99.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAsOs2
_chemical_formula_sum   'K1 As1 Os2'
_cell_volume   80.95
_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  0.18  0.96  1.0
  As  As1  1  0.0  0.41  0.31  1.0
  Os  Os2  1  0.0  0.68  0.65  1.0
  Os  Os3  1  0.0  0.87  0.62  1.0

K As Os Os