data_KLaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   152.52
_cell_angle_beta   134.37
_cell_angle_gamma   54.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaRe
_chemical_formula_sum   'K1 La1 Re1'
_cell_volume   78.15
_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  0.06  1.0
  La  La1  1  0.0  0.0  0.31  1.0
  Re  Re2  1  0.0  0.0  0.66  1.0

data_KLaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.81
_cell_length_c   6.2
_cell_angle_alpha   112.82
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaRe
_chemical_formula_sum   'K1 La1 Re1'
_cell_volume   78.15
_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  0.06  0.06  1.0
  La  La1  1  0.0  0.31  0.31  1.0
  Re  Re2  1  0.0  0.66  0.66  1.0

K La Re