data_[Ce2Pm4Er6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  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 [17.2919]
_cell_length_b [3.9117]
_cell_length_c [7.9802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePm2(ErS2)3]
_chemical_formula_sum '[Ce2 Pm4 Er6 S12]'
_cell_volume [522.7705]
_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  2  0.0000  0.5000  0.0000  1
  Pm  Pm1  4  0.1657  0.0000  0.3312  1
  Er  Er2  4  0.1667  0.0000  0.8351  1
  Er  Er3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0037  0.0000  0.7408  1
  S  S5  4  0.1637  0.5000  0.5929  1
  S  S6  4  0.1705  0.5000  0.0747  1
]