data_ZnCu3(MoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu3(MoO3)4
_chemical_formula_sum   'Zn1 Cu3 Mo4 O12'
_cell_volume   224.53
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.83  1.0
  Cu  Cu2  1  0.0  0.83  0.0  1.0
  Cu  Cu3  1  0.83  0.0  0.0  1.0
  Mo  Mo4  1  0.91  0.91  0.91  1.0
  Mo  Mo5  1  0.91  0.09  0.91  1.0
  Mo  Mo6  1  0.91  0.91  0.09  1.0
  Mo  Mo7  1  0.09  0.91  0.91  1.0
  O  O8  1  0.52  0.51  0.83  1.0
  O  O9  1  0.31  0.32  0.0  1.0
  O  O10  1  0.52  0.49  0.83  1.0
  O  O11  1  0.0  0.31  0.32  1.0
  O  O12  1  0.51  0.83  0.52  1.0
  O  O13  1  0.34  0.0  0.31  1.0
  O  O14  1  0.0  0.31  0.34  1.0
  O  O15  1  0.32  0.0  0.31  1.0
  O  O16  1  0.31  0.34  0.0  1.0
  O  O17  1  0.83  0.52  0.51  1.0
  O  O18  1  0.49  0.83  0.52  1.0
  O  O19  1  0.83  0.52  0.49  1.0

data_ZnCu3(MoO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.83
_cell_length_b   10.83
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   ZnCu3(MoO3)4
_chemical_formula_sum   'Zn3 Cu9 Mo12 O36'
_cell_volume   673.59
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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
  Zn  Zn0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.06  0.11  0.94  1.0
  Mo  Mo2  9  0.11  0.06  0.97  1.0
  Mo  Mo3  3  0.0  0.0  0.91  1.0
  O  O4  9  0.09  0.21  0.21  1.0
  O  O5  9  0.1  0.21  0.21  1.0
  O  O6  9  0.21  0.11  0.62  1.0
  O  O7  9  0.21  0.76  0.28  1.0

Zn Cu Cu Cu Mo Mo Mo Mo O O O O O O O O O O O O