data_[Er10Th2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1986]
_cell_length_b [15.7248]
_cell_length_c [7.4243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5ThPb6]
_chemical_formula_sum '[Er10 Th2 Pb12]'
_cell_volume [702.1293]
_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
[
  Er  Er0  4  0.0000  0.3300  0.0000  1
  Er  Er1  4  0.0000  0.3405  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.5000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  8  0.0031  0.1714  0.7389  1
  Pb  Pb5  4  0.0151  0.5000  0.2424  1
]