data_KCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   117.21
_cell_angle_beta   117.21
_cell_angle_gamma   117.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr3
_chemical_formula_sum   'K1 Cr3'
_cell_volume   95.29
_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  0.59  0.5  0.03  1.0
  Cr  Cr1  1  0.41  0.5  0.03  1.0
  Cr  Cr2  1  0.0  0.99  0.03  1.0

data_KCr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   117.21
_cell_angle_beta   99.72
_cell_angle_gamma   99.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr3
_chemical_formula_sum   'K1 Cr3'
_cell_volume   95.29
_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  0.03  0.03  0.03  1.0
  Cr  Cr2  1  0.03  0.43  0.52  1.0
  Cr  Cr3  1  0.03  0.62  0.52  1.0

K Cr Cr Cr