data_K2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   132.33
_cell_angle_beta   132.33
_cell_angle_gamma   69.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrSe
_chemical_formula_sum   'K2 Cr1 Se1'
_cell_volume   122.53
_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  0.47  0.51  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.02  1.0
  Se  Se3  1  0.47  0.0  0.51  1.0

data_K2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.11
_cell_angle_alpha   113.83
_cell_angle_beta   113.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrSe
_chemical_formula_sum   'K2 Cr1 Se1'
_cell_volume   122.53
_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  0.0  1.0
  K  K1  1  0.04  0.51  0.04  1.0
  Cr  Cr2  1  0.02  0.02  0.02  1.0
  Se  Se3  1  0.51  0.04  0.04  1.0

K K Cr Se