data_[Sr2Hf2Mn2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  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 [7.1784]
_cell_length_b [3.3310]
_cell_length_c [7.6820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrHfMnN3]
_chemical_formula_sum '[Sr2 Hf2 Mn2 N6]'
_cell_volume [177.5588]
_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
[
  Sr  Sr0  2  0.1913  0.2500  0.2019  1.0
  Hf  Hf1  2  0.3480  0.7500  0.8560  1.0
  Mn  Mn2  2  0.0803  0.2500  0.6024  1.0
  N  N3  2  0.1321  0.2500  0.8520  1.0
  N  N4  2  0.1750  0.7500  0.5457  1.0
  N  N5  2  0.4469  0.7500  0.1403  1.0
]