data_[Ho4Er4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4563]
_cell_length_b [3.7860]
_cell_length_c [10.5057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoErCl3]
_chemical_formula_sum '[Ho4 Er4 Cl12]'
_cell_volume [555.6742]
_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
[
  Ho  Ho0  4  0.1380  0.0000  0.2888  1
  Er  Er1  4  0.0788  0.5000  0.9538  1
  Cl  Cl2  4  0.0366  0.0000  0.7408  1
  Cl  Cl3  4  0.1655  0.5000  0.5077  1
  Cl  Cl4  4  0.2166  0.0000  0.1165  1
]