data_[Ho1Lu1Fe2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.8189]
_cell_length_b [3.8189]
_cell_length_c [11.5075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HoLu(FeBr)2]
_chemical_formula_sum '[Ho1 Lu1 Fe2 Br2]'
_cell_volume [145.3418]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1693  1
  Lu  Lu1  1  0.0000  0.0000  0.8313  1
  Fe  Fe2  1  0.3333  0.6667  0.9909  1
  Fe  Fe3  1  0.6667  0.3333  0.0048  1
  Br  Br4  1  0.3333  0.6667  0.3366  1
  Br  Br5  1  0.6667  0.3333  0.6669  1
]