data_[Y4Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7122]
_cell_length_b [6.6813]
_cell_length_c [6.9035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YMnO3]
_chemical_formula_sum '[Y4 Mn4 O12]'
_cell_volume [263.4057]
_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
[
  Y  Y0  4  0.3454  0.6570  0.1689  1
  Mn  Mn1  4  0.1139  0.1989  0.0689  1
  O  O2  4  0.0653  0.1338  0.3396  1
  O  O3  4  0.2072  0.5996  0.4744  1
  O  O4  4  0.4173  0.1689  0.6224  1
]