data_[La8Sm4Mg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4609]
_cell_length_b [19.1792]
_cell_length_c [13.5540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2SmMgTe5]
_chemical_formula_sum '[La8 Sm4 Mg4 Te20]'
_cell_volume [1159.6338]
_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
[
  La  La0  4  0.0000  0.1131  0.6847  1.0
  La  La1  4  0.0000  0.1316  0.3073  1.0
  Sm  Sm2  4  0.0000  0.2037  0.0120  1.0
  Mg  Mg3  4  0.0000  0.4477  0.4545  1.0
  Te  Te4  4  0.0000  0.0468  0.0709  1.0
  Te  Te5  4  0.0000  0.2863  0.6731  1.0
  Te  Te6  4  0.0000  0.3136  0.3483  1.0
  Te  Te7  4  0.0000  0.3652  0.0006  1.0
  Te  Te8  4  0.0000  0.4951  0.7726  1.0
]