data_[Nd4Sm2Er6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  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 [17.3909]
_cell_length_b [3.9143]
_cell_length_c [8.0076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Sm(ErS2)3]
_chemical_formula_sum '[Nd4 Sm2 Er6 S12]'
_cell_volume [527.0067]
_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
[
  Nd  Nd0  4  0.1669  0.0000  0.3339  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1672  0.0000  0.8335  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0045  0.0000  0.7425  1.0
  S  S5  4  0.1622  0.5000  0.5946  1.0
  S  S6  4  0.1695  0.5000  0.0715  1.0
]