data_[Ho8Ga2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2013]
_cell_length_b [4.0537]
_cell_length_c [8.3450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho4GaBr5]
_chemical_formula_sum '[Ho8 Ga2 Br10]'
_cell_volume [601.4206]
_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  4  0.0007  0.0000  0.2259  1.0
  Ho  Ho1  4  0.1518  0.5000  0.0794  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1671  0.0000  0.3300  1.0
  Br  Br4  4  0.1739  0.0000  0.8396  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]