data_K2BeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95
_cell_length_b   9.95
_cell_length_c   3.27
_cell_angle_alpha   95.35
_cell_angle_beta   95.35
_cell_angle_gamma   18.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeIr
_chemical_formula_sum   'K2 Be1 Ir1'
_cell_volume   102.68
_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  K2  1  0.73  0.0  0.9  1.0
  K  K3  1  0.6  0.0  0.35  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.66  0.0  0.63  1.0

data_K2BeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.27
_cell_length_c   9.95
_cell_angle_alpha   95.35
_cell_angle_beta   99.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeIr
_chemical_formula_sum   'K2 Be1 Ir1'
_cell_volume   102.68
_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  0.35  0.6  1.0
  K  K1  1  0.0  0.9  0.73  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.63  0.66  1.0

K K Be Ir