data_KMn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.53
_cell_angle_alpha   104.76
_cell_angle_beta   104.76
_cell_angle_gamma   58.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Se
_chemical_formula_sum   'K1 Mn2 Se1'
_cell_volume   80.26
_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  0.64  0.0  0.55  1.0
  Mn  Mn1  1  0.82  0.0  0.24  1.0
  Mn  Mn2  1  0.28  0.0  0.9  1.0
  Se  Se3  1  0.52  0.0  0.94  1.0

data_KMn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.89
_cell_length_c   6.53
_cell_angle_alpha   104.76
_cell_angle_beta   90.0
_cell_angle_gamma   119.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Se
_chemical_formula_sum   'K1 Mn2 Se1'
_cell_volume   80.26
_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  0.36  0.45  1.0
  Mn  Mn1  1  0.0  0.18  0.76  1.0
  Mn  Mn2  1  0.0  0.72  0.1  1.0
  Se  Se3  1  0.0  0.48  0.06  1.0

K Mn Mn Se