data_[Ca2Tb6Pm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  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 [19.3162]
_cell_length_b [4.4095]
_cell_length_c [8.8784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb3(PmTe3)2]
_chemical_formula_sum '[Ca2 Tb6 Pm4 Te12]'
_cell_volume [735.3450]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.0000  1
  Tb  Tb1  4  0.1692  0.0000  0.8277  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Pm  Pm3  4  0.1724  0.0000  0.3436  1
  Te  Te4  4  0.0005  0.0000  0.7489  1
  Te  Te5  4  0.1621  0.5000  0.5867  1
  Te  Te6  4  0.1661  0.5000  0.0773  1
]