data_KMnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   8.17
_cell_angle_alpha   155.56
_cell_angle_beta   153.77
_cell_angle_gamma   36.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnSe2
_chemical_formula_sum   'K1 Mn1 Se2'
_cell_volume   99.79
_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  0.56  1.0
  Mn  Mn1  1  0.0  0.86  0.69  1.0
  Se  Se2  1  0.0  0.0  0.28  1.0
  Se  Se3  1  0.73  0.0  0.56  1.0

data_KMnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.71
_cell_length_c   8.17
_cell_angle_alpha   103.12
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnSe2
_chemical_formula_sum   'K1 Mn1 Se2'
_cell_volume   99.79
_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  0.56  0.56  1.0
  Mn  Mn1  1  0.14  0.83  0.83  1.0
  Se  Se2  1  0.0  0.28  0.28  1.0
  Se  Se3  1  0.0  0.56  0.83  1.0

K Mn Se Se