data_[Ho3Te1Br7]
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 [P3m1]
_cell_length_a [8.3334]
_cell_length_b [8.3334]
_cell_length_c [18.5209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho3TeBr7]
_chemical_formula_sum '[Ho3 Te1 Br7]'
_cell_volume [1113.8649]
_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  3  0.1715  0.3431  0.4987  1
  Te  Te1  1  0.3333  0.6667  0.3981  1
  Br  Br2  3  0.0177  0.5089  0.5858  1
  Br  Br3  3  0.3182  0.1591  0.4201  1
  Br  Br4  1  0.0000  0.0000  0.5882  1
]