data_[Pm4Si1Te2I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6318]
_cell_length_b [4.3668]
_cell_length_c [7.8306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4SiTe2I]
_chemical_formula_sum '[Pm4 Si1 Te2 I1]'
_cell_volume [247.2815]
_cell_formula_units_Z [1]
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  2  0.2240  0.0000  0.7155  1
  Pm  Pm1  2  0.2430  0.5000  0.2832  1
  Si  Si2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Te  Te4  1  0.5000  0.5000  0.0000  1
  I  I5  1  0.0000  0.0000  0.0000  1
]