data_Ba2Cr3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   13.24
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cr3O7
_chemical_formula_sum   'Ba2 Cr3 O7'
_cell_volume   190.75
_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  0.67  0.92  1.0
  Ba  Ba1  1  0.0  0.57  0.92  1.0
  Cr  Cr2  1  0.9  0.43  0.02  1.0
  Cr  Cr3  1  0.9  0.82  0.02  1.0
  Cr  Cr4  1  0.9  0.0  0.78  1.0
  O  O5  1  0.0  0.0  0.71  1.0
  O  O6  1  0.9  0.6  0.91  1.0
  O  O7  1  0.9  0.65  0.91  1.0
  O  O8  1  0.0  0.55  0.02  1.0
  O  O9  1  0.0  0.69  0.02  1.0
  O  O10  1  0.9  0.35  0.03  1.0
  O  O11  1  0.9  0.9  0.03  1.0

data_Ba2Cr3O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.8
_cell_length_c   13.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cr3O7
_chemical_formula_sum   'Ba2 Cr3 O7'
_cell_volume   190.75
_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  0.92  0.0  0.57  1.0
  Ba  Ba1  1  0.92  0.0  0.67  1.0
  Cr  Cr2  1  0.02  0.9  0.43  1.0
  Cr  Cr3  1  0.02  0.9  0.82  1.0
  Cr  Cr4  1  0.78  0.9  0.0  1.0
  O  O5  1  0.02  0.0  0.55  1.0
  O  O6  1  0.02  0.0  0.69  1.0
  O  O7  1  0.03  0.9  0.35  1.0
  O  O8  1  0.03  0.9  0.9  1.0
  O  O9  1  0.71  0.0  0.0  1.0
  O  O10  1  0.91  0.9  0.6  1.0
  O  O11  1  0.91  0.9  0.65  1.0

Ba Ba Cr Cr Cr O O O O O O O
Ba Ba Cr Cr Cr O O O O O O O 0 7 - o o 0 9 o o + 1 6 - o o 1 8 o o + 2 10 o o o 3 11 o o o 4 5 + o o 6 7 o o o 