data_[Na4Tm4Ga4Se12]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7442]
_cell_length_b [4.4778]
_cell_length_c [13.2504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaTmGaSe3]
_chemical_formula_sum '[Na4 Tm4 Ga4 Se12]'
_cell_volume [637.4803]
_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
[
  Na  Na0  4  0.2158  0.7500  0.9985  1
  Tm  Tm1  4  0.0157  0.2500  0.2586  1
  Ga  Ga2  4  0.2348  0.2500  0.7600  1
  Se  Se3  4  0.0472  0.2500  0.8765  1
  Se  Se4  4  0.0884  0.7500  0.3858  1
  Se  Se5  4  0.2381  0.7500  0.6714  1
]