data_KMn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   7.23
_cell_angle_alpha   97.38
_cell_angle_beta   97.38
_cell_angle_gamma   37.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Sn
_chemical_formula_sum   'K1 Mn2 Sn1'
_cell_volume   104.26
_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  0.54  0.0  0.41  1.0
  Mn  Mn1  1  0.13  0.0  0.72  1.0
  Mn  Mn2  1  0.68  0.0  0.72  1.0
  Sn  Sn3  1  0.06  0.0  0.89  1.0

data_KMn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.89
_cell_length_c   7.23
_cell_angle_alpha   97.38
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Sn
_chemical_formula_sum   'K1 Mn2 Sn1'
_cell_volume   104.26
_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  0.46  0.59  1.0
  Mn  Mn1  1  0.0  0.32  0.28  1.0
  Mn  Mn2  1  0.0  0.87  0.28  1.0
  Sn  Sn3  1  0.0  0.94  0.11  1.0

K Mn Mn Sn