data_[Er4In8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4035]
_cell_length_b [26.9558]
_cell_length_c [4.6875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er(InPb)2]
_chemical_formula_sum '[Er4 In8 Pb8]'
_cell_volume [556.4098]
_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
[
  Er  Er0  4  0.0000  0.3545  0.2500  1.0
  In  In1  4  0.0000  0.0461  0.7500  1.0
  In  In2  4  0.0000  0.4505  0.7500  1.0
  Pb  Pb3  4  0.0000  0.1449  0.2500  1.0
  Pb  Pb4  4  0.0000  0.2488  0.7500  1.0
]