data_[Pm2Er2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.3861]
_cell_length_b [4.5378]
_cell_length_c [8.6809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PmErPb3]
_chemical_formula_sum '[Pm2 Er2 Pb6]'
_cell_volume [308.2467]
_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
[
  Pm  Pm0  1  0.3981  0.0000  0.8711  1
  Pm  Pm1  1  0.7171  0.5000  0.3440  1
  Er  Er2  1  0.1393  0.5000  0.1716  1
  Er  Er3  1  0.7322  0.5000  0.8652  1
  Pb  Pb4  1  0.0680  0.0000  0.5035  1
  Pb  Pb5  1  0.0713  0.5000  0.7857  1
  Pb  Pb6  1  0.3822  0.5000  0.5452  1
  Pb  Pb7  1  0.4119  0.0000  0.2409  1
  Pb  Pb8  1  0.7033  0.0000  0.6123  1
  Pb  Pb9  1  0.8409  0.0000  0.1190  1
]