data_HoMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   7.26
_cell_length_c   11.0
_cell_angle_alpha   105.02
_cell_angle_beta   107.43
_cell_angle_gamma   93.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMoBrO4
_chemical_formula_sum   'Ho4 Mo4 Br4 O16'
_cell_volume   503.67
_cell_formula_units_Z   4
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
  Ho  Ho0  1  0.02  0.63  0.34  1.0
  Ho  Ho1  1  0.18  0.56  0.7  1.0
  Ho  Ho2  1  0.88  0.4  0.71  1.0
  Ho  Ho3  1  0.32  0.79  0.32  1.0
  Mo  Mo4  1  0.28  0.49  0.34  1.0
  Mo  Mo5  1  0.92  0.71  0.69  1.0
  Mo  Mo6  1  0.04  0.38  0.31  1.0
  Mo  Mo7  1  0.16  0.82  0.73  1.0
  Br  Br8  1  0.67  0.61  0.2  1.0
  Br  Br9  1  0.53  0.59  0.84  1.0
  Br  Br10  1  0.8  0.2  0.85  1.0
  Br  Br11  1  0.4  1.0  0.19  1.0
  O  O12  1  0.15  0.35  0.61  1.0
  O  O13  1  0.05  0.84  0.42  1.0
  O  O14  1  0.97  0.67  0.08  1.0
  O  O15  1  0.23  0.53  0.96  1.0
  O  O16  1  0.4  0.06  0.03  1.0
  O  O17  1  0.8  0.14  0.01  1.0
  O  O18  1  0.63  0.62  0.21  1.0
  O  O19  1  0.57  0.58  0.83  1.0
  O  O20  1  0.81  0.65  0.76  1.0
  O  O21  1  0.39  0.55  0.28  1.0
  O  O22  1  0.47  0.85  0.04  1.0
  O  O23  1  0.73  0.35  1.0  1.0
  O  O24  1  0.96  0.29  0.53  1.0
  O  O25  1  0.24  0.91  0.51  1.0
  O  O26  1  0.88  0.62  0.05  1.0
  O  O27  1  0.32  0.58  0.99  1.0

data_HoMoBrO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.92
_cell_length_b   7.26
_cell_length_c   11.0
_cell_angle_alpha   105.02
_cell_angle_beta   107.43
_cell_angle_gamma   93.38
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HoMoBrO4
_chemical_formula_sum   'Ho4 Mo4 Br4 O16'
_cell_volume   503.67
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ho  Ho0  2  0.08  0.46  0.68  1.0
  Ho  Ho1  2  0.22  0.69  0.31  1.0
  Mo  Mo2  2  0.06  0.72  0.71  1.0
  Mo  Mo3  2  0.18  0.39  0.32  1.0
  Br  Br4  2  0.3  0.9  0.17  1.0
  Br  Br5  2  0.43  0.49  0.82  1.0
  O  O6  2  0.05  0.25  0.6  1.0
  O  O7  2  0.13  0.43  0.94  1.0
  O  O8  2  0.14  0.81  0.49  1.0
  O  O9  2  0.22  0.48  0.97  1.0
  O  O10  2  0.29  0.45  0.26  1.0
  O  O11  2  0.3  0.96  0.01  1.0
  O  O12  2  0.37  0.75  0.02  1.0
  O  O13  2  0.47  0.48  0.81  1.0

Ho Ho Ho Ho Mo Mo Mo Mo Br Br Br Br O O O O O O O O O O O O O O O O
Ho Ho Ho Ho Mo Mo Mo Mo Br Br Br Br O O O O O O O O O O O O O O O O 0 13 o o o 0 6 o o o 0 3 o o o 1 7 o o o 1 12 o o o 1 2 - o o 2 5 o o o 2 20 o o o 2 12 + o o 2 24 o o o 3 25 o o o 3 13 o o o 3 21 o o o 3 4 o o o 4 21 o o o 4 6 o o o 5 20 o o o 5 7 + o o 8 18 o o o 9 19 o o o 10 23 o o o 10 17 o o + 11 16 o + o 11 22 o o o 12 24 - o o 13 25 o o o 14 26 o o o 15 27 o o o 16 22 o - o 17 23 o o - 22 27 o o - 23 26 o o + 