data_K2CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   140.79
_cell_angle_beta   137.58
_cell_angle_gamma   59.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrSi
_chemical_formula_sum   'K2 Cr1 Si1'
_cell_volume   107.0
_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  0.12  0.0  0.73  1.0
  K  K2  1  0.0  0.29  0.77  1.0
  Cr  Cr0  1  0.0  0.0  0.5  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_K2CrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.58
_cell_length_c   6.33
_cell_angle_alpha   111.21
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrSi
_chemical_formula_sum   'K2 Cr1 Si1'
_cell_volume   107.0
_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  0.73  0.61  1.0
  K  K1  1  0.71  0.48  0.48  1.0
  Cr  Cr2  1  0.0  0.5  0.5  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

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