data_[Ba2La2Mn2N8]
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
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9725]
_cell_length_b [5.6084]
_cell_length_c [7.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaMnN4]
_chemical_formula_sum '[Ba2 La2 Mn2 N8]'
_cell_volume [242.5097]
_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  0.2787  0.7500  0.0700  1.0
  La  La1  2  0.2357  0.7500  0.5510  1.0
  Mn  Mn2  2  0.2217  0.2500  0.3148  1.0
  N  N3  4  0.0432  0.0079  0.2778  1.0
  N  N4  2  0.3885  0.2500  0.5382  1.0
  N  N5  2  0.4065  0.2500  0.1779  1.0
]