data_[Pm2Sn6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8839]
_cell_length_b [4.3293]
_cell_length_c [12.9894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm(SnTe2)3]
_chemical_formula_sum '[Pm2 Sn6 Te12]'
_cell_volume [667.9199]
_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
[
  Pm  Pm0  2  0.2899  0.7500  0.9471  1
  Sn  Sn1  2  0.1184  0.2500  0.1639  1
  Sn  Sn2  2  0.1513  0.7500  0.5374  1
  Sn  Sn3  2  0.4489  0.2500  0.7050  1
  Te  Te4  2  0.0510  0.2500  0.3670  1
  Te  Te5  2  0.0947  0.2500  0.9281  1
  Te  Te6  2  0.2419  0.2500  0.7496  1
  Te  Te7  2  0.2860  0.7500  0.2010  1
  Te  Te8  2  0.3805  0.7500  0.5302  1
  Te  Te9  2  0.4759  0.2500  0.0978  1
]