data_KBe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   137.64
_cell_angle_beta   137.64
_cell_angle_gamma   61.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Os
_chemical_formula_sum   'K1 Be2 Os1'
_cell_volume   60.89
_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  0.0  0.0  0.42  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.86  0.0  0.21  1.0
  Os  Os3  1  0.0  0.86  0.21  1.0

data_KBe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   5.14
_cell_angle_alpha   111.18
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Os
_chemical_formula_sum   'K1 Be2 Os1'
_cell_volume   60.89
_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  0.58  0.0  0.58  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.79  0.0  0.65  1.0
  Os  Os3  1  0.65  0.86  0.65  1.0

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