data_KBeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   6.66
_cell_length_c   4.02
_cell_angle_alpha   79.47
_cell_angle_beta   66.8
_cell_angle_gamma   33.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeSb
_chemical_formula_sum   'K1 Be1 Sb1'
_cell_volume   93.46
_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  0.21  0.36  0.39  1.0
  Be  Be0  1  0.21  0.36  0.88  1.0
  Sb  Sb2  1  0.21  0.36  0.85  1.0

data_KBeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   12.56
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   123.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeSb
_chemical_formula_sum   'K2 Be2 Sb2'
_cell_volume   186.92
_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  0.03  0.0  0.39  1.0
  Be  Be1  2  0.05  0.5  0.91  1.0
  Sb  Sb2  2  0.07  0.5  0.93  1.0

K Be Sb