data_KMnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnBr
_chemical_formula_sum   'K1 Mn1 Br1'
_cell_volume   98.74
_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  K1  1  0.0  0.0  0.4  1.0
  Mn  Mn2  1  0.0  0.01  0.44  1.0
  Br  Br0  1  0.61  0.51  0.55  1.0

data_KMnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnBr
_chemical_formula_sum   'K1 Mn1 Br1'
_cell_volume   98.74
_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  0.4  0.0  0.0  1.0
  Mn  Mn1  1  0.44  0.0  0.01  1.0
  Br  Br2  1  0.55  0.61  0.51  1.0

K Mn Br