data_[Pm9Zr3In9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3253]
_cell_length_b [8.3253]
_cell_length_c [23.1808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm3ZrIn3Se8]
_chemical_formula_sum '[Pm9 Zr3 In9 Se24]'
_cell_volume [1391.4109]
_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
[
  Pm  Pm0  9  0.0000  0.5000  0.0000  1
  Zr  Zr1  3  -0.0000  -0.0000  0.0000  1
  In  In2  9  0.0000  0.5000  0.5000  1
  Se  Se3  18  0.0221  0.5110  0.7356  1
  Se  Se4  6  0.0000  0.0000  0.2610  1
]