data_KGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   6.26
_cell_angle_alpha   104.26
_cell_angle_beta   104.26
_cell_angle_gamma   42.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaBi2
_chemical_formula_sum   'K1 Ga1 Bi2'
_cell_volume   138.48
_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  K3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.59  0.0  0.02  1.0
  Bi  Bi0  1  0.74  0.0  0.98  1.0
  Bi  Bi1  1  0.43  0.0  0.05  1.0

data_KGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.81
_cell_length_c   6.26
_cell_angle_alpha   104.26
_cell_angle_beta   90.0
_cell_angle_gamma   111.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaBi2
_chemical_formula_sum   'K1 Ga1 Bi2'
_cell_volume   138.48
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.41  0.98  1.0
  Bi  Bi2  1  0.0  0.26  0.02  1.0
  Bi  Bi3  1  0.0  0.57  0.95  1.0

K Ga Bi Bi