data_KCaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaRe2
_chemical_formula_sum   'K1 Ca1 Re2'
_cell_volume   79.27
_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
  Ca  Ca0  1  0.68  0.0  0.0  1.0
  Re  Re2  1  0.34  0.72  0.36  1.0
  Re  Re3  1  0.34  0.28  0.36  1.0

data_KCaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.36
_cell_length_c   6.07
_cell_angle_alpha   116.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaRe2
_chemical_formula_sum   'K1 Ca1 Re2'
_cell_volume   79.27
_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
  Ca  Ca1  1  -0.0  0.0  0.68  1.0
  Re  Re2  1  0.36  0.28  0.62  1.0
  Re  Re3  1  0.36  0.72  0.06  1.0

K Ca Re Re