data_BaZn(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn(MoO2)4
_chemical_formula_sum   'Ba1 Zn1 Mo4 O8'
_cell_volume   209.06
_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  0.0  0.65  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.32  0.59  1.0
  Mo  Mo3  1  0.87  0.66  0.59  1.0
  Mo  Mo4  1  0.0  0.32  0.71  1.0
  Mo  Mo5  1  0.87  0.66  0.71  1.0
  O  O6  1  0.84  0.46  0.33  1.0
  O  O7  1  0.06  0.0  0.33  1.0
  O  O8  1  0.97  0.52  0.33  1.0
  O  O9  1  0.03  0.52  0.98  1.0
  O  O10  1  0.16  0.46  0.98  1.0
  O  O11  1  0.69  0.0  0.98  1.0
  O  O12  1  0.0  0.32  0.65  1.0
  O  O13  1  0.87  0.66  0.65  1.0

data_BaZn(MoO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn(MoO2)4
_chemical_formula_sum   'Ba1 Zn1 Mo4 O8'
_cell_volume   209.06
_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  0.0  0.65  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.32  0.59  1.0
  Mo  Mo3  1  0.0  0.32  0.71  1.0
  Mo  Mo4  1  0.87  0.66  0.59  1.0
  Mo  Mo5  1  0.87  0.66  0.71  1.0
  O  O6  1  0.0  0.32  0.65  1.0
  O  O7  1  0.03  0.52  0.98  1.0
  O  O8  1  0.06  0.0  0.33  1.0
  O  O9  1  0.16  0.46  0.98  1.0
  O  O10  1  0.69  0.0  0.98  1.0
  O  O11  1  0.84  0.46  0.33  1.0
  O  O12  1  0.87  0.66  0.65  1.0
  O  O13  1  0.97  0.52  0.33  1.0

Ba Zn Mo Mo Mo Mo O O O O O O O O
Ba Zn Mo Mo Mo Mo O O O O O O O O 0 2 o o o 0 12 o o o 0 4 o o o 0 3 - - o 0 13 - - o 0 5 - - o 0 7 o o o 1 11 - o - 1 7 o o o 2 12 o o o 2 7 o o o 3 13 o o o 3 7 + + o 4 12 o o o 5 13 o o o 6 8 o o o 6 7 + + o 7 13 - - o 7 8 - - o 9 10 o o o 