data_[Ba2Zr2Mn4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4022]
_cell_length_b [5.5302]
_cell_length_c [7.8513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaZrMn2O8]
_chemical_formula_sum '[Ba2 Zr2 Mn4 O16]'
_cell_volume [363.4262]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.5000  1
  Mn  Mn2  4  0.1178  0.5000  0.2764  1
  O  O3  8  0.0009  0.2477  0.2961  1
  O  O4  4  0.1849  0.5000  0.0829  1
  O  O5  4  0.2458  0.0000  0.5500  1
]