data_Ba2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   7.92
_cell_angle_alpha   103.27
_cell_angle_beta   103.27
_cell_angle_gamma   50.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnCr
_chemical_formula_sum   'Ba2 Zn1 Cr1'
_cell_volume   163.46
_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
  Ba  Ba0  1  0.68  0.0  0.97  1.0
  Ba  Ba1  1  0.88  0.0  0.69  1.0
  Zn  Zn3  1  0.78  0.0  0.83  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

data_Ba2ZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.28
_cell_length_c   7.92
_cell_angle_alpha   103.27
_cell_angle_beta   90.0
_cell_angle_gamma   115.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnCr
_chemical_formula_sum   'Ba2 Zn1 Cr1'
_cell_volume   163.46
_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
  Ba  Ba0  1  0.0  0.12  0.31  1.0
  Ba  Ba1  1  0.0  0.32  0.03  1.0
  Zn  Zn2  1  0.0  0.22  0.17  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Ba Ba Zn Cr
Ba Ba Zn Cr 0 2 o o o 0 3 + o + 1 2 o o o 2 3 + o + 