data_Mn2As2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   4.9
_cell_angle_alpha   97.73
_cell_angle_beta   97.73
_cell_angle_gamma   105.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2As2O7
_chemical_formula_sum   'Mn2 As2 O7'
_cell_volume   146.38
_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
  Mn  Mn0  1  0.88  0.28  0.39  1.0
  Mn  Mn1  1  0.88  0.72  0.39  1.0
  As  As2  1  0.61  0.0  0.32  1.0
  As  As3  1  0.16  0.0  0.46  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.48  0.0  0.06  1.0
  O  O6  1  0.29  0.0  0.72  1.0
  O  O7  1  0.83  0.57  0.41  1.0
  O  O8  1  0.93  0.57  0.38  1.0
  O  O9  1  0.93  0.43  0.38  1.0
  O  O10  1  0.83  0.43  0.41  1.0

data_Mn2As2O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   105.07
_cell_angle_beta   97.73
_cell_angle_gamma   97.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2As2O7
_chemical_formula_sum   'Mn2 As2 O7'
_cell_volume   146.38
_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
  Mn  Mn0  1  0.39  0.88  0.28  1.0
  Mn  Mn1  1  0.39  0.88  0.72  1.0
  As  As2  1  0.32  0.61  0.0  1.0
  As  As3  1  0.46  0.16  0.0  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.06  0.48  0.0  1.0
  O  O6  1  0.38  0.93  0.43  1.0
  O  O7  1  0.38  0.93  0.57  1.0
  O  O8  1  0.41  0.83  0.43  1.0
  O  O9  1  0.41  0.83  0.57  1.0
  O  O10  1  0.72  0.29  0.0  1.0

Mn Mn As As O O O O O O O
Mn Mn As As O O O O O O O 0 10 o o o 0 9 o o o 0 4 + o o 1 7 o o o 1 8 o o o 1 4 + + o 2 5 o o o 2 4 + o o 3 6 o o o 3 4 o o + 3 4 o o o 4 5 o o o 4 6 o o - 7 8 o o o 9 10 o o o 