data_[Ca6Pm3U3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0246]
_cell_length_b [7.0246]
_cell_length_c [18.6071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2PmUS6]
_chemical_formula_sum '[Ca6 Pm3 U3 S18]'
_cell_volume [795.1653]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  3  0.0000  0.0000  0.4752  1
  Ca  Ca1  3  0.0000  0.0000  0.9817  1
  Pm  Pm2  3  0.0000  0.0000  0.1847  1
  U  U3  3  0.0000  0.0000  0.6779  1
  S  S4  9  0.0446  0.3398  0.7516  1
  S  S5  9  0.0499  0.6792  0.2547  1
]