data_[Ca6Tb2Tm4Te12]
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
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5708]
_cell_length_b [13.1147]
_cell_length_c [7.7390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Tb(TmTe3)2]
_chemical_formula_sum '[Ca6 Tb2 Tm4 Te12]'
_cell_volume [726.5409]
_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  4  0.0000  0.1650  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm3  4  0.0000  0.3324  0.0000  1.0
  Te  Te4  8  0.2499  0.3313  0.7569  1.0
  Te  Te5  4  0.2429  0.5000  0.2417  1.0
]