data_[Pm6Nd3Er3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0813]
_cell_length_b [7.0813]
_cell_length_c [18.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pm2NdErS6]
_chemical_formula_sum '[Pm6 Nd3 Er3 S18]'
_cell_volume [814.1653]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4785  1
  Pm  Pm1  3  0.0000  0.0000  0.9818  1
  Nd  Nd2  3  0.0000  0.0000  0.1876  1
  Er  Er3  3  0.0000  0.0000  0.6829  1
  S  S4  9  0.0000  0.7083  0.5853  1
  S  S5  9  0.0380  0.3559  0.7505  1
]