data_KBeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   157.41
_cell_angle_beta   157.41
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeNb
_chemical_formula_sum   'K1 Be1 Nb1'
_cell_volume   63.96
_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  0.0  0.0  0.04  1.0
  Be  Be0  1  0.0  0.0  0.43  1.0
  Nb  Nb2  1  0.0  0.0  0.09  1.0

data_KBeNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeNb
_chemical_formula_sum   'K2 Be2 Nb2'
_cell_volume   127.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.04  0.0  0.04  1.0
  Be  Be1  2  0.43  0.0  0.43  1.0
  Nb  Nb2  2  0.09  0.0  0.09  1.0

K Be Nb
K Be Nb 0 2 o o o 0 1 o o o 1 1 + o + 1 1 o + + 1 2 o o o 