data_[Pm28Rh4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9628]
_cell_length_b [13.3027]
_cell_length_c [24.3014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm7RhS5]
_chemical_formula_sum '[Pm28 Rh4 S20]'
_cell_volume [1281.0727]
_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
[
  Pm  Pm0  8  0.0000  0.1383  0.0363  1
  Pm  Pm1  8  0.0000  0.3050  0.6780  1
  Pm  Pm2  8  0.0000  0.4122  0.1073  1
  Pm  Pm3  4  0.0000  0.0404  0.7500  1
  Rh  Rh4  4  0.0000  0.3053  0.2500  1
  S  S5  8  0.0000  0.0505  0.1425  1
  S  S6  8  0.0000  0.2245  0.5713  1
  S  S7  4  0.0000  0.5000  0.0000  1
]