data_[Ho2Te2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3722]
_cell_length_b [4.2565]
_cell_length_c [7.5300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoTeBr]
_chemical_formula_sum '[Ho2 Te2 Br2]'
_cell_volume [235.7595]
_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  0.2329  0.7500  0.5093  1
  Te  Te1  2  0.0968  0.2500  0.7454  1
  Br  Br2  2  0.4046  0.2500  0.3015  1
]