data_[Y2Mn6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.6600]
_cell_length_b [3.1063]
_cell_length_c [11.0678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Y(MnN)3]
_chemical_formula_sum '[Y2 Mn6 N6]'
_cell_volume [641.5283]
_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
[
  Y  Y0  2  0.5000  0.0000  0.4516  1
  Mn  Mn1  4  0.4019  0.0000  0.6667  1
  Mn  Mn2  2  0.5000  0.0000  0.1924  1
  N  N3  4  0.4247  0.0000  0.0706  1
  N  N4  2  0.5000  0.0000  0.7902  1
]