data_[Y4Ho4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2130]
_cell_length_b [3.9075]
_cell_length_c [10.7395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHoBr3]
_chemical_formula_sum '[Y4 Ho4 Br12]'
_cell_volume [723.1449]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0805  0.5000  0.9642  1.0
  Ho  Ho1  4  0.0787  0.0000  0.2487  1.0
  Br  Br2  4  0.0776  0.0000  0.7576  1.0
  Br  Br3  4  0.1372  0.5000  0.4459  1.0
  Br  Br4  4  0.1946  0.0000  0.1245  1.0
]