data_Y2MgMn2S2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.3
_cell_length_b   14.3
_cell_length_c   14.3
_cell_angle_alpha   164.6
_cell_angle_beta   164.6
_cell_angle_gamma   21.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgMn2S2O5
_chemical_formula_sum   'Y2 Mg1 Mn2 S2 O5'
_cell_volume   206.11
_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
  Y  Y0  1  0.0  0.0  0.31  1.0
  Y  Y1  1  0.0  0.0  0.77  1.0
  Mg  Mg2  1  0.0  0.92  0.02  1.0
  Mn  Mn3  1  0.0  0.0  0.84  1.0
  Mn  Mn4  1  0.0  0.0  0.24  1.0
  S  S5  1  0.0  0.0  0.42  1.0
  S  S6  1  0.0  0.0  0.66  1.0
  O  O7  1  0.0  0.92  0.61  1.0
  O  O8  1  0.0  0.92  0.43  1.0
  O  O9  1  0.92  0.0  0.57  1.0
  O  O10  1  0.92  0.0  0.47  1.0
  O  O11  1  0.0  0.0  0.0  1.0

data_Y2MgMn2S2O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   14.3
_cell_angle_alpha   97.7
_cell_angle_beta   97.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgMn2S2O5
_chemical_formula_sum   'Y2 Mg1 Mn2 S2 O5'
_cell_volume   206.11
_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
  Y  Y0  1  0.23  0.0  0.23  1.0
  Y  Y1  1  0.69  0.0  0.69  1.0
  Mg  Mg2  1  0.9  0.92  0.9  1.0
  Mn  Mn3  1  0.16  0.0  0.16  1.0
  Mn  Mn4  1  0.76  0.0  0.76  1.0
  S  S5  1  0.34  0.0  0.34  1.0
  S  S6  1  0.58  0.0  0.58  1.0
  O  O7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.31  0.92  0.31  1.0
  O  O9  1  0.43  0.0  0.35  1.0
  O  O10  1  0.48  0.92  0.48  1.0
  O  O11  1  0.53  0.0  0.44  1.0

Y Y Mg Mn Mn S S O O O O O
Y Y Mg Mn Mn S S O O O O O 0 4 o o o 1 3 o o o 2 11 o + o 5 8 o - o 6 9 - o o 6 7 o - o 8 10 - + o 