data_KCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   140.27
_cell_angle_beta   140.27
_cell_angle_gamma   57.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoRe2
_chemical_formula_sum   'K1 Co1 Re2'
_cell_volume   67.46
_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  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.82  1.0
  Re  Re2  1  0.87  0.0  0.41  1.0
  Re  Re3  1  0.0  0.87  0.41  1.0

data_KCoRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   118.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCoRe2
_chemical_formula_sum   'K2 Co2 Re4'
_cell_volume   134.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.18  1.0
  Re  Re2  4  0.43  0.43  0.46  1.0

K Co Re Re