data_[Y4Mn4N4]
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 [C2/m]
_cell_length_a [4.9010]
_cell_length_b [4.7505]
_cell_length_c [7.2634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YMnN]
_chemical_formula_sum '[Y4 Mn4 N4]'
_cell_volume [168.5970]
_cell_formula_units_Z [4]
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  4  0.2303  0.0000  0.8316  1
  Mn  Mn1  4  0.1915  0.5000  0.5650  1
  N  N2  4  0.2351  0.5000  0.8313  1
]