data_[Tm1Sc1Bi1Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3256]
_cell_length_b [4.3256]
_cell_length_c [6.0529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TmScBiTe]
_chemical_formula_sum '[Tm1 Sc1 Bi1 Te1]'
_cell_volume [113.2566]
_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
[
  Tm  Tm0  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc1  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  1  0.5000  0.5000  0.5000  1.0
]