data_[Ca4Tm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [7.5149]
_cell_length_b [13.0128]
_cell_length_c [7.7391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2(TmTe2)3]
_chemical_formula_sum '[Ca4 Tm6 Te12]'
_cell_volume [715.6360]
_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  0.1661  0.5000  1
  Tm  Tm1  4  0.0000  0.3316  0.0000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.2494  0.1648  0.2417  1
  Te  Te4  4  0.2432  0.5000  0.2395  1
]