data_[Pm6Np2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Np  1.3600  1.7500  1.0000
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6912]
_cell_length_b [4.4294]
_cell_length_c [13.0025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm3NpTe6]
_chemical_formula_sum '[Pm6 Np2 Te12]'
_cell_volume [690.1579]
_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  0.1542  0.2500  0.0767  1
  Pm  Pm1  2  0.3185  0.7500  0.4971  1
  Pm  Pm2  2  0.4268  0.2500  0.8333  1
  Np  Np3  2  0.0442  0.2500  0.6920  1
  Te  Te4  2  0.0837  0.7500  0.8939  1
  Te  Te5  2  0.1112  0.2500  0.4640  1
  Te  Te6  2  0.1892  0.7500  0.2498  1
  Te  Te7  2  0.2464  0.7500  0.7179  1
  Te  Te8  2  0.3954  0.2500  0.0653  1
  Te  Te9  2  0.4860  0.2500  0.6200  1
]