data_[Sm2Tm1Sc1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4483]
_cell_length_b [4.2767]
_cell_length_c [7.6540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm2TmScTe4]
_chemical_formula_sum '[Sm2 Tm1 Sc1 Te4]'
_cell_volume [230.7071]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Sm  Sm1  1  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2389  0.5000  0.2310  1.0
  Te  Te5  2  0.2506  0.0000  0.7654  1.0
]