data_KCo2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Re
_chemical_formula_sum   'K1 Co2 Re1'
_cell_volume   59.58
_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  K2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.62  0.25  0.31  1.0
  Co  Co1  1  0.62  0.75  0.31  1.0
  Re  Re3  1  0.25  0.0  0.0  1.0

data_KCo2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   94.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Re
_chemical_formula_sum   'K1 Co2 Re1'
_cell_volume   59.58
_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
  Co  Co1  1  0.31  0.62  0.75  1.0
  Co  Co2  1  0.31  0.62  0.25  1.0
  Re  Re3  1  0.0  0.25  0.0  1.0

K Co Co Re
K Co Co Re 0 3 o o o 0 1 - o o 0 2 - - o 0 2 - - - 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o - o 1 1 o o + 2 3 o + o 2 2 o o + 