data_[Na1Ho1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7915]
_cell_length_b [8.9050]
_cell_length_c [7.1457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaHo(PbBr4)2]
_chemical_formula_sum '[Na1 Ho1 Pb2 Br8]'
_cell_volume [432.1335]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.5000  0.2540  0.5000  1
  Br  Br3  4  0.2299  0.2328  0.1510  1
  Br  Br4  2  0.2354  0.0000  0.6778  1
  Br  Br5  2  0.2639  0.5000  0.6603  1
]