data_K2TiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   155.14
_cell_angle_beta   127.3
_cell_angle_gamma   59.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCr
_chemical_formula_sum   'K2 Ti1 Cr1'
_cell_volume   132.17
_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  0.41  1.0
  K  K2  1  0.58  0.0  0.38  1.0
  Ti  Ti3  1  0.0  0.0  0.14  1.0
  Cr  Cr0  1  0.0  0.26  0.66  1.0

data_K2TiCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   6.53
_cell_length_c   7.35
_cell_angle_alpha   116.35
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TiCr
_chemical_formula_sum   'K2 Ti1 Cr1'
_cell_volume   132.17
_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  0.21  0.62  0.21  1.0
  K  K1  1  0.59  0.59  0.59  1.0
  Ti  Ti2  1  0.86  0.86  0.86  1.0
  Cr  Cr3  1  0.34  0.6  0.6  1.0

K K Ti Cr