data_[La6Pm2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2564]
_cell_length_b [8.4777]
_cell_length_c [8.0266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PmTe6]
_chemical_formula_sum '[La6 Pm2 Te12]'
_cell_volume [810.7808]
_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
[
  La  La0  4  0.2499  0.0000  0.6932  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Te  Te3  8  0.0889  0.2505  0.3420  1
  Te  Te4  4  0.2456  0.5000  0.9066  1
]