data_[Ba2Mg1Mn2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6694]
_cell_length_b [5.5113]
_cell_length_c [6.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba2MgMn2O6]
_chemical_formula_sum '[Ba2 Mg1 Mn2 O6]'
_cell_volume [185.4650]
_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  0.3421  0.0000  0.6619  1
  Ba  Ba1  1  0.7804  0.5000  0.5082  1
  Mg  Mg2  1  0.6084  0.0000  0.2323  1
  Mn  Mn3  2  0.0159  0.2668  0.0370  1
  O  O4  1  0.1696  0.5000  0.3557  1
  O  O5  1  0.1784  0.5000  0.9142  1
  O  O6  1  0.2528  0.0000  0.0583  1
  O  O7  1  0.7385  0.5000  0.9225  1
  O  O8  1  0.7659  0.0000  0.5481  1
  O  O9  1  0.7987  0.0000  0.0581  1
]