data_KCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.47
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrSe2
_chemical_formula_sum   'K1 Cr1 Se2'
_cell_volume   124.33
_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  0.09  0.0  0.37  1.0
  Cr  Cr0  1  0.48  0.23  0.86  1.0
  Se  Se2  1  0.16  0.23  0.34  1.0
  Se  Se3  1  0.36  0.0  0.66  1.0

data_KCrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.47
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrSe2
_chemical_formula_sum   'K1 Cr1 Se2'
_cell_volume   124.33
_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  0.09  0.0  0.37  1.0
  Cr  Cr1  1  0.48  0.23  0.86  1.0
  Se  Se2  1  0.16  0.23  0.34  1.0
  Se  Se3  1  0.36  0.0  0.66  1.0

K Cr Se Se