data_KCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.97
_cell_angle_alpha   92.64
_cell_angle_beta   92.64
_cell_angle_gamma   36.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr3
_chemical_formula_sum   'K1 Cr3'
_cell_volume   83.42
_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  K3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.09  0.0  0.48  1.0
  Cr  Cr1  1  0.79  0.0  0.25  1.0
  Cr  Cr2  1  0.38  0.0  0.71  1.0

data_KCr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.48
_cell_length_c   6.97
_cell_angle_alpha   92.64
_cell_angle_beta   90.0
_cell_angle_gamma   108.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr3
_chemical_formula_sum   'K1 Cr3'
_cell_volume   83.42
_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
  Cr  Cr1  1  0.0  0.21  0.75  1.0
  Cr  Cr2  1  0.0  0.62  0.29  1.0
  Cr  Cr3  1  0.0  0.91  0.52  1.0

K Cr Cr Cr