data_K2BaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   121.19
_cell_angle_beta   121.19
_cell_angle_gamma   87.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaCr
_chemical_formula_sum   'K2 Ba1 Cr1'
_cell_volume   191.56
_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  0.0  0.2  0.34  1.0
  K  K3  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.2  0.0  0.34  1.0
  Cr  Cr1  1  0.0  0.0  0.69  1.0

data_K2BaCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.51
_cell_angle_alpha   119.4
_cell_angle_beta   119.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaCr
_chemical_formula_sum   'K2 Ba1 Cr1'
_cell_volume   191.56
_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
  K  K1  1  0.85  0.2  0.85  1.0
  Ba  Ba2  1  0.66  0.0  0.85  1.0
  Cr  Cr3  1  0.31  0.0  0.31  1.0

K K Ba Cr