data_[Pm3Er12Tm3S24]
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
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0195]
_cell_length_b [8.0195]
_cell_length_c [19.6148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmEr4TmS8]
_chemical_formula_sum '[Pm3 Er12 Tm3 S24]'
_cell_volume [1092.4607]
_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  0.3752  1
  Er  Er1  9  0.0016  0.5008  0.5002  1
  Er  Er2  3  0.0000  0.0000  0.6248  1
  Tm  Tm3  3  0.0000  0.0000  0.9995  1
  S  S4  9  0.0306  0.5153  0.7533  1
  S  S5  9  0.1767  0.3534  0.5814  1
  S  S6  3  0.0000  0.0000  0.2391  1
  S  S7  3  0.0000  0.0000  0.7569  1
]