data_[Cs6Sr2Pm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Pm  1.1300  1.8500  1.1100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4473]
_cell_length_b [12.8996]
_cell_length_c [8.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sr(PmS3)2]
_chemical_formula_sum '[Cs6 Sr2 Pm4 S12]'
_cell_volume [775.1957]
_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
[
  Cs  Cs0  4  0.0000  0.1628  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Pm  Pm3  4  0.0000  0.3330  0.0000  1
  S  S4  8  0.2385  0.1755  0.1887  1
  S  S5  4  0.2115  0.5000  0.1867  1
]