data_KMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   3.09
_cell_angle_alpha   104.11
_cell_angle_beta   104.11
_cell_angle_gamma   116.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Sb
_chemical_formula_sum   'K1 Mn2 Sb1'
_cell_volume   94.98
_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
  Mn  Mn1  1  0.93  0.64  0.37  1.0
  Mn  Mn2  1  0.93  0.36  0.37  1.0
  Sb  Sb3  1  0.28  0.0  0.0  1.0

data_KMn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.83
_cell_length_c   6.21
_cell_angle_alpha   117.8
_cell_angle_beta   104.11
_cell_angle_gamma   90.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Sb
_chemical_formula_sum   'K1 Mn2 Sb1'
_cell_volume   94.98
_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
  Mn  Mn1  1  0.01  0.64  0.57  1.0
  Mn  Mn2  1  0.73  0.36  0.29  1.0
  Sb  Sb3  1  0.0  0.0  0.28  1.0

K Mn Mn Sb