data_[Ce6Sm2Er4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [6.8623]
_cell_length_b [11.8840]
_cell_length_c [6.9434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Sm(ErS3)2]
_chemical_formula_sum '[Ce6 Sm2 Er4 S12]'
_cell_volume [533.9901]
_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
[
  Ce  Ce0  4  0.0000  0.1638  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3332  0.0000  1.0
  S  S4  8  0.2498  0.3296  0.7605  1.0
  S  S5  4  0.2380  0.5000  0.2365  1.0
]