data_MgSnAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   9.33
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   118.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnAs2O7
_chemical_formula_sum   'Mg4 Sn4 As8 O28'
_cell_volume   624.42
_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
  Mg  Mg0  1  0.75  0.75  0.92  1.0
  Mg  Mg1  1  0.72  0.09  0.27  1.0
  Mg  Mg2  1  0.1  0.58  0.87  1.0
  Mg  Mg3  1  0.13  0.24  0.53  1.0
  Sn  Sn4  1  0.86  0.37  0.53  1.0
  Sn  Sn5  1  0.61  0.03  0.66  1.0
  Sn  Sn6  1  0.99  0.96  0.26  1.0
  Sn  Sn7  1  0.24  0.3  0.14  1.0
  As  As8  1  0.7  0.05  0.6  1.0
  As  As9  1  0.78  0.71  0.59  1.0
  As  As10  1  0.16  0.28  0.19  1.0
  As  As11  1  0.08  0.61  0.21  1.0
  As  As12  1  0.1  0.38  0.27  1.0
  As  As13  1  0.38  0.04  0.92  1.0
  As  As14  1  0.76  0.95  0.52  1.0
  As  As15  1  0.48  0.29  0.88  1.0
  O  O16  1  0.41  0.1  0.32  1.0
  O  O17  1  0.83  0.76  0.08  1.0
  O  O18  1  0.45  0.23  0.48  1.0
  O  O19  1  0.03  0.56  0.71  1.0
  O  O20  1  0.09  0.61  0.81  1.0
  O  O21  1  0.38  0.28  0.38  1.0
  O  O22  1  0.76  0.72  0.98  1.0
  O  O23  1  0.47  0.05  0.42  1.0
  O  O24  1  0.27  0.89  0.81  1.0
  O  O25  1  0.2  0.55  0.38  1.0
  O  O26  1  0.58  0.44  0.98  1.0
  O  O27  1  0.65  0.78  0.41  1.0
  O  O28  1  0.96  0.49  0.07  1.0
  O  O29  1  0.51  0.15  0.12  1.0
  O  O30  1  0.89  0.84  0.72  1.0
  O  O31  1  0.34  0.18  0.67  1.0
  O  O32  1  0.6  0.94  0.82  1.0
  O  O33  1  0.64  0.6  0.57  1.0
  O  O34  1  0.26  0.39  0.97  1.0
  O  O35  1  0.22  0.72  0.22  1.0
  O  O36  1  0.74  0.59  0.81  1.0
  O  O37  1  0.49  0.26  0.58  1.0
  O  O38  1  0.11  0.74  0.98  1.0
  O  O39  1  0.36  0.07  0.21  1.0
  O  O40  1  0.56  0.72  0.22  1.0
  O  O41  1  0.67  0.39  0.17  1.0
  O  O42  1  0.29  0.61  0.57  1.0
  O  O43  1  0.18  0.94  0.62  1.0

data_MgSnAs2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.61
_cell_length_b   9.24
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.97
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgSnAs2O7
_chemical_formula_sum   'Mg4 Sn4 As8 O28'
_cell_volume   624.42
_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
  Mg  Mg0  2  0.08  0.87  0.92  1.0
  Mg  Mg1  2  0.3  0.47  0.41  1.0
  Sn  Sn2  2  0.2  0.14  0.2  1.0
  Sn  Sn3  2  0.43  0.74  0.13  1.0
  As  As4  2  0.07  0.52  0.88  1.0
  As  As5  2  0.29  0.12  0.79  1.0
  As  As6  2  0.34  0.19  0.55  1.0
  As  As7  2  0.44  0.21  0.89  1.0
  O  O8  2  0.03  0.78  0.22  1.0
  O  O9  2  0.07  0.41  0.72  1.0
  O  O10  2  0.14  0.72  0.99  1.0
  O  O11  2  0.19  0.83  0.56  1.0
  O  O12  2  0.22  0.32  0.4  1.0
  O  O13  2  0.24  0.57  0.22  1.0
  O  O14  2  0.25  0.42  0.45  1.0
  O  O15  2  0.29  0.02  0.61  1.0
  O  O16  2  0.36  0.33  0.68  1.0
  O  O17  2  0.38  0.81  0.91  1.0
  O  O18  2  0.4  0.58  0.57  1.0
  O  O19  2  0.44  0.92  0.94  1.0
  O  O20  2  0.47  0.18  0.44  1.0
  O  O21  2  0.48  0.02  0.89  1.0

Mg Mg Mg Mg Sn Sn Sn Sn As As As As As As As As O O O O O O O O O O O O O O O O O O O O O O O O O O O O
Mg Mg Mg Mg Sn Sn Sn Sn As As As As As As As As O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 22 o o o 0 32 o o o 0 36 o o o 1 29 o o o 1 6 o - o 2 20 o o o 2 34 o o o 2 38 o o o 3 31 o o o 3 4 - o o 4 33 o o o 4 19 + o o 5 8 o o o 5 32 o - o 6 17 o o o 6 35 + o o 7 10 o o o 7 34 o o - 8 14 o - o 9 33 o o o 9 27 o o o 9 30 o o o 10 12 o o o 11 28 - o o 11 25 o o o 11 35 o o o 12 25 o o o 13 24 o - o 13 29 o o + 14 27 o o o 15 31 o o o 15 26 o o o 16 39 o o o 16 23 o o o 17 22 o o - 18 21 o o o 18 37 o o o 19 20 o o o 20 38 o o o 22 36 o o o 24 43 o o o 25 42 o o o 26 41 o o + 27 40 o o o 29 39 o o o 31 37 o o o 33 36 o o o 35 38 o o - 