data_[Y4Mn3Ni1O12]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3024]
_cell_length_b [5.6779]
_cell_length_c [7.6432]
_cell_angle_alpha [89.9512]
_cell_angle_beta [89.3068]
_cell_angle_gamma [89.3544]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y4Mn3NiO12]
_chemical_formula_sum '[Y4 Mn3 Ni1 O12]'
_cell_volume [230.0775]
_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  2  0.0208  0.0768  0.7551  1.0
  Y  Y1  2  0.4813  0.5711  0.7513  1.0
  Mn  Mn2  1  0.0000  0.5000  0.5000  1.0
  Mn  Mn3  1  0.5000  0.0000  0.0000  1.0
  Mn  Mn4  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni5  1  0.0000  0.5000  0.0000  1.0
  O  O6  2  0.1093  0.5362  0.2558  1.0
  O  O7  2  0.2036  0.8135  0.9469  1.0
  O  O8  2  0.2059  0.8193  0.5599  1.0
  O  O9  2  0.3041  0.3121  0.5552  1.0
  O  O10  2  0.3177  0.2924  0.9410  1.0
  O  O11  2  0.3847  0.0408  0.2409  1.0
]