data_[Sm12Cu4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4554]
_cell_length_b [12.9143]
_cell_length_c [7.6913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3CuTe2]
_chemical_formula_sum '[Sm12 Cu4 Te8]'
_cell_volume [699.8446]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  8  0.2466  0.3252  0.7674  1
  Sm  Sm1  4  0.2247  0.5000  0.2264  1
  Cu  Cu2  4  0.0000  0.3310  0.0000  1
  Te  Te3  4  0.0000  0.1575  0.5000  1
  Te  Te4  2  0.0000  0.0000  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]