data_[Pm2Dy4Er6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7431]
_cell_length_b [11.7268]
_cell_length_c [6.7788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmDy2(ErS2)3]
_chemical_formula_sum '[Pm2 Dy4 Er6 S12]'
_cell_volume [505.5457]
_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  2  0.0000  0.0000  0.0000  1
  Dy  Dy1  4  0.0000  0.3340  0.0000  1
  Er  Er2  4  0.0000  0.1633  0.5000  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2436  0.3298  0.7414  1
  S  S5  4  0.2453  0.5000  0.2563  1
]