data_[Ho1Zr1S2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8438]
_cell_length_b [5.2513]
_cell_length_c [8.7841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [HoZr(SBr)2]
_chemical_formula_sum '[Ho1 Zr1 S2 Br2]'
_cell_volume [177.3053]
_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  0.5000  0.8851  1
  Zr  Zr1  1  0.5000  0.0000  0.1104  1
  S  S2  1  0.0000  0.0000  0.9099  1
  S  S3  1  0.5000  0.5000  0.1067  1
  Br  Br4  1  0.0000  0.0000  0.3336  1
  Br  Br5  1  0.5000  0.5000  0.6543  1
]