data_KLaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   142.42
_cell_angle_beta   142.42
_cell_angle_gamma   54.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaRe2
_chemical_formula_sum   'K1 La1 Re2'
_cell_volume   82.39
_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
  La  La1  1  0.0  0.0  0.4  1.0
  Re  Re2  1  0.0  0.95  0.7  1.0
  Re  Re3  1  0.95  0.0  0.7  1.0

data_KLaRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   117.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLaRe2
_chemical_formula_sum   'K2 La2 Re4'
_cell_volume   164.78
_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
  La  La1  2  0.0  0.0  0.6  1.0
  Re  Re2  4  0.48  0.52  0.25  1.0

K La Re Re