data_[Sm4Mg4Tl4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5215]
_cell_length_b [15.4173]
_cell_length_c [11.9461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmMgTlTe3]
_chemical_formula_sum '[Sm4 Mg4 Tl4 Te12]'
_cell_volume [832.7646]
_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  4  0.0000  0.5000  0.0000  1
  Mg  Mg1  4  0.0000  0.0361  0.7500  1
  Tl  Tl2  4  0.0000  0.2562  0.2500  1
  Te  Te3  8  0.0000  0.1365  0.5577  1
  Te  Te4  4  0.0000  0.4249  0.7500  1
]