data_KSrMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   4.53
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrMn2
_chemical_formula_sum   'K1 Sr1 Mn2'
_cell_volume   142.32
_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  Sr3  1  0.95  0.0  0.01  1.0
  Mn  Mn1  1  0.9  0.27  0.66  1.0
  Mn  Mn2  1  0.91  0.27  0.36  1.0

data_KSrMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.53
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrMn2
_chemical_formula_sum   'K1 Sr1 Mn2'
_cell_volume   142.32
_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  0.95  0.0  0.01  1.0
  Mn  Mn2  1  0.9  0.27  0.66  1.0
  Mn  Mn3  1  0.91  0.27  0.36  1.0

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