data_[Ca2La6Pm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [19.7330]
_cell_length_b [4.5183]
_cell_length_c [9.0881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa3(PmTe3)2]
_chemical_formula_sum '[Ca2 La6 Pm4 Te12]'
_cell_volume [788.9468]
_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
  La  La1  4  0.1681  0.0000  0.8308  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Pm  Pm3  4  0.1702  0.0000  0.3401  1
  Te  Te4  4  0.0024  0.0000  0.2434  1
  Te  Te5  4  0.1632  0.5000  0.0867  1
  Te  Te6  4  0.1664  0.5000  0.5794  1
]