data_KSrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   6.46
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrSe2
_chemical_formula_sum   'K1 Sr1 Se2'
_cell_volume   134.09
_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  0.53  1.0
  Sr  Sr3  1  0.28  0.23  0.88  1.0
  Se  Se1  1  0.0  0.23  0.61  1.0
  Se  Se2  1  0.28  0.0  0.82  1.0

data_KSrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrSe2
_chemical_formula_sum   'K1 Sr1 Se2'
_cell_volume   134.09
_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  0.47  0.0  1.0
  Sr  Sr1  1  0.72  0.12  0.77  1.0
  Se  Se2  1  0.0  0.39  0.77  1.0
  Se  Se3  1  0.72  0.18  0.0  1.0

K Sr Se Se
K Sr Se Se 0 3 o o o 0 2 o o o 1 2 o o o 1 3 o o o 