data_[Ho2C2N4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3804]
_cell_length_b [3.6356]
_cell_length_c [7.3772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoCN2Cl]
_chemical_formula_sum '[Ho2 C2 N4 Cl2]'
_cell_volume [143.5016]
_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
[
  Ho  Ho0  2  0.1447  0.7500  0.7307  1.0
  C  C1  2  0.3581  0.7500  0.3554  1.0
  N  N2  2  0.1320  0.7500  0.3820  1.0
  N  N3  2  0.4207  0.2500  0.6654  1.0
  Cl  Cl4  2  0.2398  0.2500  0.0239  1.0
]