data_[Sm2Ho4Zr6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8090]
_cell_length_b [10.0743]
_cell_length_c [5.8852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHo2Zr3N6]
_chemical_formula_sum '[Sm2 Ho4 Zr6 N12]'
_cell_volume [324.9893]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  4  0.0000  0.3331  0.0000  1.0
  Zr  Zr2  4  0.0000  0.1681  0.5000  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  8  0.2402  0.3297  0.7313  1.0
  N  N5  4  0.2497  0.5000  0.2695  1.0
]