data_[Sm4Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.8360]
_cell_length_b [8.3001]
_cell_length_c [9.3878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmScTe3]
_chemical_formula_sum '[Sm4 Sc4 Te12]'
_cell_volume [684.5739]
_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  0.1092  0.7094  0.0525  1
  Sc  Sc1  4  0.3105  0.1105  0.9218  1
  Te  Te2  4  0.0028  0.5055  0.7044  1
  Te  Te3  4  0.2535  0.1466  0.6057  1
  Te  Te4  4  0.3760  0.7245  0.4439  1
]