data_[Ba1Mn1Os1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2201]
_cell_length_b [5.3297]
_cell_length_c [5.7065]
_cell_angle_alpha [89.8607]
_cell_angle_beta [88.0448]
_cell_angle_gamma [61.7170]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaMnOsO6]
_chemical_formula_sum '[Ba1 Mn1 Os1 O6]'
_cell_volume [139.7118]
_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  1  0.0010  0.0226  0.9990  1.0
  Mn  Mn1  1  0.3316  0.3403  0.4984  1.0
  Os  Os2  1  0.6637  0.6789  0.5003  1.0
  O  O3  1  0.3919  0.9793  0.3198  1.0
  O  O4  1  0.4048  0.6104  0.6954  1.0
  O  O5  1  0.6144  0.3900  0.3106  1.0
  O  O6  1  0.6311  0.9684  0.6999  1.0
  O  O7  1  0.9704  0.6208  0.2973  1.0
  O  O8  1  0.9910  0.3891  0.6792  1.0
]