data_[Pm8Te1P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.6515]
_cell_length_b [10.6515]
_cell_length_c [4.2546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Pm8TeP6]
_chemical_formula_sum '[Pm8 Te1 P6]'
_cell_volume [418.0328]
_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  6  0.0342  0.3501  0.2566  1
  Pm  Pm1  2  0.3333  0.6667  0.7484  1
  Te  Te2  1  0.0000  0.0000  0.5000  1
  P  P3  6  0.1373  0.6592  0.2447  1
]