data_MgAsNO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   6.61
_cell_length_c   12.3
_cell_angle_alpha   91.98
_cell_angle_beta   91.07
_cell_angle_gamma   93.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsNO10
_chemical_formula_sum   'Mg2 As2 N2 O20'
_cell_volume   460.48
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.77  0.1  0.94  1.0
  Mg  Mg1  1  0.67  1.0  0.17  1.0
  As  As2  1  0.95  0.78  0.46  1.0
  As  As3  1  0.29  0.75  0.24  1.0
  N  N4  1  0.63  0.07  0.72  1.0
  N  N5  1  0.32  0.21  0.82  1.0
  O  O6  1  0.33  0.4  0.93  1.0
  O  O7  1  0.71  0.89  0.87  1.0
  O  O8  1  0.33  0.38  0.84  1.0
  O  O9  1  0.11  0.22  0.63  1.0
  O  O10  1  0.37  0.49  0.46  1.0
  O  O11  1  0.53  0.03  0.32  1.0
  O  O12  1  0.27  0.65  0.28  1.0
  O  O13  1  0.47  0.12  0.07  1.0
  O  O14  1  0.54  0.83  0.76  1.0
  O  O15  1  0.0  0.11  0.22  1.0
  O  O16  1  0.12  0.18  0.3  1.0
  O  O17  1  0.39  0.28  0.94  1.0
  O  O18  1  0.15  0.08  0.69  1.0
  O  O19  1  0.41  0.86  0.57  1.0
  O  O20  1  0.59  0.92  0.75  1.0
  O  O21  1  0.65  0.54  0.85  1.0
  O  O22  1  0.91  0.93  0.93  1.0
  O  O23  1  0.01  0.45  0.0  1.0
  O  O24  1  0.05  0.9  0.38  1.0
  O  O25  1  0.91  0.46  0.25  1.0

data_MgAsNO10
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   6.61
_cell_length_c   12.3
_cell_angle_alpha   91.98
_cell_angle_beta   91.07
_cell_angle_gamma   93.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAsNO10
_chemical_formula_sum   'Mg2 As2 N2 O20'
_cell_volume   460.48
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.67  1.0  0.17  1.0
  Mg  Mg1  1  0.77  0.1  0.94  1.0
  As  As2  1  0.29  0.75  0.24  1.0
  As  As3  1  0.95  0.78  0.46  1.0
  N  N4  1  0.32  0.21  0.82  1.0
  N  N5  1  0.63  0.07  0.72  1.0
  O  O6  1  0.0  0.11  0.22  1.0
  O  O7  1  0.01  0.45  0.0  1.0
  O  O8  1  0.05  0.9  0.38  1.0
  O  O9  1  0.11  0.22  0.63  1.0
  O  O10  1  0.12  0.18  0.3  1.0
  O  O11  1  0.15  0.08  0.69  1.0
  O  O12  1  0.27  0.65  0.28  1.0
  O  O13  1  0.33  0.38  0.84  1.0
  O  O14  1  0.33  0.4  0.93  1.0
  O  O15  1  0.37  0.49  0.46  1.0
  O  O16  1  0.39  0.28  0.94  1.0
  O  O17  1  0.41  0.86  0.57  1.0
  O  O18  1  0.47  0.12  0.07  1.0
  O  O19  1  0.53  0.03  0.32  1.0
  O  O20  1  0.54  0.83  0.76  1.0
  O  O21  1  0.59  0.92  0.75  1.0
  O  O22  1  0.65  0.54  0.85  1.0
  O  O23  1  0.71  0.89  0.87  1.0
  O  O24  1  0.91  0.46  0.25  1.0
  O  O25  1  0.91  0.93  0.93  1.0

Mg Mg As As N N O O O O O O O O O O O O O O O O O O O O
Mg Mg As As N N O O O O O O O O O O O O O O O O O O O O 0 7 o - o 0 22 o - o 1 13 o + o 1 11 o + o 1 15 + + o 2 24 + o o 2 10 + o o 2 19 + o o 3 12 o o o 3 10 o o o 3 11 o + o 3 25 - o o 4 20 o - o 4 19 o - o 5 8 o o o 6 17 o o o 6 8 o o o 6 21 o o o 6 23 o o + 7 22 o o o 7 21 o o o 8 21 o o o 9 18 o o o 9 10 o o o 10 16 o o o 10 12 o o o 10 19 o o o 12 25 - o o 13 17 o o - 14 20 o o o 14 19 o o o 14 21 o o o 15 16 o o o 15 25 - o o 16 25 - o o 17 21 o o o 17 23 o o + 18 19 o - o 19 20 o o o 