data_[Na1Tm1Sn2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7681]
_cell_length_b [4.4722]
_cell_length_c [7.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaTm(SnTe2)2]
_chemical_formula_sum '[Na1 Tm1 Sn2 Te4]'
_cell_volume [257.1203]
_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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  1  0.5000  0.0000  0.5000  1.0
  Te  Te4  2  0.2369  0.5000  0.2391  1.0
  Te  Te5  2  0.2392  0.0000  0.7552  1.0
]