data_KBeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   133.03
_cell_angle_beta   133.03
_cell_angle_gamma   68.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeSb2
_chemical_formula_sum   'K1 Be1 Sb2'
_cell_volume   104.1
_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  0.82  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.32  0.41  1.0
  Sb  Sb3  1  0.32  0.0  0.41  1.0

data_KBeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   124.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeSb2
_chemical_formula_sum   'K2 Be2 Sb4'
_cell_volume   208.21
_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  0.18  0.0  0.18  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.25  0.34  0.92  1.0

K Be Sb Sb