data_[Ac6Sm4Er2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [7.0571]
_cell_length_b [12.2533]
_cell_length_c [7.3182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Sm2ErS6]
_chemical_formula_sum '[Ac6 Sm4 Er2 S12]'
_cell_volume [598.7881]
_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
[
  Ac  Ac0  4  0.0000  0.1695  0.5000  1
  Ac  Ac1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3334  0.0000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2364  0.1625  0.2224  1
  S  S5  4  0.2497  0.0000  0.7745  1
]