data_K2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReSi
_chemical_formula_sum   'K2 Re1 Si1'
_cell_volume   86.36
_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  0.34  0.87  0.41  1.0
  K  K1  1  0.34  0.13  0.41  1.0
  Re  Re2  1  0.68  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_K2ReSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.35
_cell_length_c   6.32
_cell_angle_alpha   115.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReSi
_chemical_formula_sum   'K2 Re1 Si1'
_cell_volume   86.36
_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  0.41  0.13  0.47  1.0
  K  K1  1  0.41  0.87  0.2  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.68  1.0

K K Re Si
K K Re Si 0 1 o + o 0 2 o + + 0 2 o + o 1 3 o o + 1 3 o o o 2 3 + o o 