data_KAlSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   7.55
_cell_angle_alpha   147.47
_cell_angle_beta   147.26
_cell_angle_gamma   46.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSn2
_chemical_formula_sum   'K1 Al1 Sn2'
_cell_volume   124.53
_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  0.13  0.93  1.0
  Al  Al0  1  0.0  0.0  0.37  1.0
  Sn  Sn2  1  0.0  0.0  0.76  1.0
  Sn  Sn3  1  0.11  0.0  0.64  1.0

data_KAlSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.25
_cell_length_c   7.55
_cell_angle_alpha   106.37
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlSn2
_chemical_formula_sum   'K1 Al1 Sn2'
_cell_volume   124.53
_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  0.87  0.8  0.8  1.0
  Al  Al1  1  0.0  0.37  0.37  1.0
  Sn  Sn2  1  0.0  0.64  0.53  1.0
  Sn  Sn3  1  0.0  0.76  0.76  1.0

K Al Sn Sn
K Al Sn Sn 0 2 o o o 1 3 o o o 2 3 o o o 