data_[Pm3Ho3Er12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0249]
_cell_length_b [8.0249]
_cell_length_c [19.6839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PmHo(ErS2)4]
_chemical_formula_sum '[Pm3 Ho3 Er12 S24]'
_cell_volume [1097.7867]
_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  0.3747  1
  Ho  Ho1  3  0.0000  0.0000  0.9995  1
  Er  Er2  9  0.0016  0.5008  0.5002  1
  Er  Er3  3  0.0000  0.0000  0.6251  1
  S  S4  9  0.0286  0.5143  0.7541  1
  S  S5  9  0.1757  0.3514  0.5806  1
  S  S6  3  0.0000  0.0000  0.2387  1
  S  S7  3  0.0000  0.0000  0.7572  1
]