data_KLiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   5.32
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiCr2
_chemical_formula_sum   'K1 Li1 Cr2'
_cell_volume   100.65
_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  K2  1  0.12  0.0  0.04  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.26  0.66  0.26  1.0
  Cr  Cr1  1  0.98  0.66  0.82  1.0

data_KLiCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.32
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiCr2
_chemical_formula_sum   'K1 Li1 Cr2'
_cell_volume   100.65
_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  0.12  0.0  0.04  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.26  0.66  0.26  1.0
  Cr  Cr3  1  0.98  0.66  0.82  1.0

K Li Cr Cr