data_KGeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   6.43
_cell_angle_alpha   112.19
_cell_angle_beta   112.19
_cell_angle_gamma   28.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeOs2
_chemical_formula_sum   'K1 Ge1 Os2'
_cell_volume   91.57
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.24  0.0  0.96  1.0
  Os  Os2  1  0.79  0.0  0.3  1.0
  Os  Os3  1  0.69  0.0  0.63  1.0

data_KGeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.67
_cell_length_c   6.43
_cell_angle_alpha   112.19
_cell_angle_beta   90.0
_cell_angle_gamma   104.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeOs2
_chemical_formula_sum   'K1 Ge1 Os2'
_cell_volume   91.57
_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
  Ge  Ge1  1  0.0  0.76  0.04  1.0
  Os  Os2  1  0.0  0.21  0.7  1.0
  Os  Os3  1  0.0  0.31  0.37  1.0

K Ge Os Os
K Ge Os Os 0 1 o o - 0 2 - o o 0 3 - o - 1 2 o o + 2 3 o o o 2 2 + - o 3 3 + - o 