data_K2MnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.17
_cell_length_b   10.17
_cell_length_c   4.16
_cell_angle_alpha   100.96
_cell_angle_beta   100.96
_cell_angle_gamma   17.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnIr
_chemical_formula_sum   'K2 Mn1 Ir1'
_cell_volume   125.03
_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  0.88  0.0  0.5  1.0
  K  K2  1  0.43  0.0  0.58  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.66  0.0  0.04  1.0

data_K2MnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.16
_cell_length_c   10.17
_cell_angle_alpha   100.96
_cell_angle_beta   98.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnIr
_chemical_formula_sum   'K2 Mn1 Ir1'
_cell_volume   125.03
_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  0.5  0.88  1.0
  K  K1  1  0.0  0.58  0.43  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.04  0.66  1.0

K K Mn Ir