data_[Ce8Pm4Mn4S20]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9171]
_cell_length_b [16.7092]
_cell_length_c [12.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2PmMnS5]
_chemical_formula_sum '[Ce8 Pm4 Mn4 S20]'
_cell_volume [789.0729]
_cell_formula_units_Z [4]
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  0.1184  0.6926  1
  Ce  Ce1  4  0.0000  0.1234  0.3468  1
  Pm  Pm2  4  0.0000  0.1809  0.0274  1
  Mn  Mn3  4  0.0000  0.4528  0.4225  1
  S  S4  4  0.0000  0.0107  0.0142  1
  S  S5  4  0.0000  0.3006  0.6937  1
  S  S6  4  0.0000  0.3184  0.3569  1
  S  S7  4  0.0000  0.3467  0.0190  1
  S  S8  4  0.0000  0.4917  0.7508  1
]