data_KSr2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   147.2
_cell_angle_beta   126.88
_cell_angle_gamma   63.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Mn
_chemical_formula_sum   'K1 Sr2 Mn1'
_cell_volume   186.02
_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
  Sr  Sr2  1  0.14  0.0  0.87  1.0
  Sr  Sr3  1  0.0  0.39  0.55  1.0
  Mn  Mn1  1  0.0  0.0  0.43  1.0

data_KSr2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   6.77
_cell_length_c   7.57
_cell_angle_alpha   116.56
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Mn
_chemical_formula_sum   'K1 Sr2 Mn1'
_cell_volume   186.02
_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
  Sr  Sr1  1  0.0  0.87  0.74  1.0
  Sr  Sr2  1  0.61  0.17  0.17  1.0
  Mn  Mn3  1  0.0  0.43  0.43  1.0

K Sr Sr Mn
K Sr Sr Mn 0 1 o o - 0 2 o - - 0 2 o o o 2 3 o o o 