data_YMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   60.13
_cell_angle_beta   60.13
_cell_angle_gamma   60.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2O4
_chemical_formula_sum   'Y2 Mn4 O8'
_cell_volume   185.1
_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
  Y  Y0  1  0.0  0.0  0.66  1.0
  Y  Y1  1  0.0  0.0  0.98  1.0
  Mn  Mn2  1  0.6  0.92  0.61  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Mn  Mn4  1  0.4  0.92  0.61  1.0
  Mn  Mn5  1  0.0  0.15  0.61  1.0
  O  O6  1  0.79  0.97  0.94  1.0
  O  O7  1  0.0  0.94  0.7  1.0
  O  O8  1  0.79  0.03  0.7  1.0
  O  O9  1  0.0  0.0  0.87  1.0
  O  O10  1  0.0  0.06  0.94  1.0
  O  O11  1  0.21  0.03  0.7  1.0
  O  O12  1  0.21  0.97  0.94  1.0
  O  O13  1  0.0  0.0  0.77  1.0

data_YMn2O4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   60.13
_cell_angle_beta   60.13
_cell_angle_gamma   60.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2O4
_chemical_formula_sum   'Y2 Mn4 O8'
_cell_volume   185.1
_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
  Y  Y0  1  0.0  0.0  0.02  1.0
  Y  Y1  1  0.0  0.0  0.34  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.08  0.4  0.39  1.0
  Mn  Mn4  1  0.08  0.6  0.39  1.0
  Mn  Mn5  1  0.85  0.0  0.39  1.0
  O  O6  1  0.0  0.0  0.13  1.0
  O  O7  1  0.0  0.0  0.23  1.0
  O  O8  1  0.03  0.21  0.06  1.0
  O  O9  1  0.03  0.79  0.06  1.0
  O  O10  1  0.06  0.0  0.3  1.0
  O  O11  1  0.94  0.0  0.06  1.0
  O  O12  1  0.97  0.21  0.3  1.0
  O  O13  1  0.97  0.79  0.3  1.0

Y Y Mn Mn Mn Mn O O O O O O O O
Y Y Mn Mn Mn Mn O O O O O O O O 0 7 o - o 0 5 o o o 0 6 - - o 0 8 - o o 0 13 o o o 1 3 o o + 1 9 o o o 1 10 o o o 1 12 o - o 2 4 o o o 3 9 o o - 3 10 o o - 3 12 o - - 4 11 o + o 5 13 o o o 6 7 + o o 6 13 + + o 6 8 o + o 6 9 + + o 7 8 - + o 7 13 o + o 9 13 o o o 9 10 o o o 9 11 o o o 10 12 o - o 11 13 o o o 11 12 o - o 