data_[Ba2Y1Mn3O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Pmmm]
_cell_length_a [3.9471]
_cell_length_b [4.0724]
_cell_length_c [11.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ba2YMn3O7]
_chemical_formula_sum '[Ba2 Y1 Mn3 O7]'
_cell_volume [190.5381]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.3190  1.0
  Y  Y1  1  0.0000  0.5000  0.0000  1.0
  Mn  Mn2  2  0.5000  0.0000  0.1540  1.0
  Mn  Mn3  1  0.5000  0.0000  0.5000  1.0
  O  O4  2  0.0000  0.0000  0.1192  1.0
  O  O5  2  0.5000  0.0000  0.3336  1.0
  O  O6  2  0.5000  0.5000  0.1205  1.0
  O  O7  1  0.5000  0.5000  0.5000  1.0
]