data_[Ho2Zr2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.3351]
_cell_length_b [3.6403]
_cell_length_c [19.0488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoZrBr4]
_chemical_formula_sum '[Ho2 Zr2 Br8]'
_cell_volume [924.6950]
_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  0.3520  0.2500  0.5055  1
  Zr  Zr1  2  0.0929  0.7500  0.5051  1
  Br  Br2  2  0.0353  0.2500  0.6063  1
  Br  Br3  2  0.1966  0.2500  0.4101  1
  Br  Br4  2  0.2696  0.7500  0.6034  1
  Br  Br5  2  0.4614  0.7500  0.4147  1
]