data_[Ho2Cu2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5640]
_cell_length_b [4.0581]
_cell_length_c [9.0508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoCuPbSe3]
_chemical_formula_sum '[Ho2 Cu2 Pb2 Se6]'
_cell_volume [304.9707]
_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  0.3251  0.7500  0.8326  1.0
  Cu  Cu1  2  0.0786  0.2500  0.5812  1.0
  Pb  Pb2  2  0.1884  0.2500  0.2407  1.0
  Se  Se3  2  0.1015  0.2500  0.8633  1.0
  Se  Se4  2  0.2249  0.7500  0.5122  1.0
  Se  Se5  2  0.4377  0.7500  0.1622  1.0
]