data_[Ba1La1Mg1Mn2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  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 [P4mm]
_cell_length_a [3.9293]
_cell_length_b [3.9293]
_cell_length_c [11.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [BaLaMgMn2O6]
_chemical_formula_sum '[Ba1 La1 Mg1 Mn2 O6]'
_cell_volume [175.6879]
_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  0.0000  0.0000  0.9174  1
  La  La1  1  0.0000  0.0000  0.5778  1
  Mg  Mg2  1  0.0000  0.0000  0.2529  1
  Mn  Mn3  1  0.5000  0.5000  0.3371  1
  Mn  Mn4  1  0.5000  0.5000  0.7381  1
  O  O5  2  0.0000  0.5000  0.2811  1
  O  O6  2  0.0000  0.5000  0.7110  1
  O  O7  1  0.5000  0.5000  0.5206  1
  O  O8  1  0.5000  0.5000  0.9219  1
]