data_KMgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.78
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgOs2
_chemical_formula_sum   'K1 Mg1 Os2'
_cell_volume   71.02
_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  0.42  0.39  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.39  0.62  1.0
  Os  Os3  1  0.42  0.0  0.62  1.0

data_KMgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.78
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgOs2
_chemical_formula_sum   'K1 Mg1 Os2'
_cell_volume   71.02
_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  0.42  0.39  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  -0.0  0.39  0.62  1.0
  Os  Os3  1  0.42  0.0  0.62  1.0

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