data_KBeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   153.39
_cell_angle_beta   145.9
_cell_angle_gamma   43.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeGe
_chemical_formula_sum   'K1 Be1 Ge1'
_cell_volume   66.41
_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  0.98  1.0
  Be  Be0  1  0.0  0.0  0.17  1.0
  Ge  Ge1  1  0.0  0.0  0.7  1.0

data_KBeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.77
_cell_length_c   6.42
_cell_angle_alpha   107.05
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeGe
_chemical_formula_sum   'K1 Be1 Ge1'
_cell_volume   66.41
_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  0.02  0.02  0.02  1.0
  Be  Be1  1  0.83  0.83  0.83  1.0
  Ge  Ge2  1  0.3  0.3  0.3  1.0

K Be Ge