data_KRe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   24.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Se
_chemical_formula_sum   'K1 Re2 Se1'
_cell_volume   88.01
_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  0.45  1.0
  Re  Re1  1  0.46  0.0  0.07  1.0
  Re  Re2  1  0.0  0.0  0.43  1.0
  Se  Se3  1  0.46  0.0  0.39  1.0

data_KRe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.58
_cell_length_c   8.61
_cell_angle_alpha   102.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Se
_chemical_formula_sum   'K1 Re2 Se1'
_cell_volume   88.01
_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  0.45  0.45  1.0
  Re  Re1  1  0.0  0.43  0.43  1.0
  Re  Re2  1  0.54  0.07  0.07  1.0
  Se  Se3  1  0.54  0.39  0.39  1.0

K Re Re Se