data_[Pm12In4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2100]
_cell_length_b [4.1608]
_cell_length_c [15.7427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pm3InSe]
_chemical_formula_sum '[Pm12 In4 Se4]'
_cell_volume [603.2867]
_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  4  0.0299  0.7500  0.3869  1
  Pm  Pm1  4  0.1575  0.7500  0.9768  1
  Pm  Pm2  4  0.1890  0.2500  0.2148  1
  In  In3  4  0.0883  0.2500  0.8194  1
  Se  Se4  4  0.1686  0.7500  0.5537  1
]