data_KMgMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.98
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgMn2
_chemical_formula_sum   'K1 Mg1 Mn2'
_cell_volume   78.56
_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  0.89  0.49  0.06  1.0
  Mg  Mg1  1  0.37  0.0  0.44  1.0
  Mn  Mn2  1  0.01  0.49  0.45  1.0
  Mn  Mn3  1  0.5  0.0  0.36  1.0

data_KMgMn2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.97
_cell_length_b   2.98
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KMgMn2
_chemical_formula_sum   'K1 Mg1 Mn2'
_cell_volume   78.56
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.89  0.0  0.06  1.0
  Mg  Mg1  1  0.37  0.5  0.44  1.0
  Mn  Mn2  1  0.01  0.0  0.45  1.0
  Mn  Mn3  1  0.5  0.5  0.36  1.0

K Mg Mn Mn