data_[La8Tm4Mg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  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 [4.4118]
_cell_length_b [19.1257]
_cell_length_c [13.4789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TmMgTe5]
_chemical_formula_sum '[La8 Tm4 Mg4 Te20]'
_cell_volume [1137.3250]
_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  0.1127  0.6833  1.0
  La  La1  4  0.0000  0.1314  0.3068  1.0
  Tm  Tm2  4  0.0000  0.2042  0.0139  1.0
  Mg  Mg3  4  0.0000  0.4439  0.4534  1.0
  Te  Te4  4  0.0000  0.0503  0.0701  1.0
  Te  Te5  4  0.0000  0.2852  0.6688  1.0
  Te  Te6  4  0.0000  0.3098  0.3543  1.0
  Te  Te7  4  0.0000  0.3616  0.0003  1.0
  Te  Te8  4  0.0000  0.4956  0.7732  1.0
]