data_[Ba2Na2Tm2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7429]
_cell_length_b [4.3532]
_cell_length_c [9.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaTmSe3]
_chemical_formula_sum '[Ba2 Na2 Tm2 Se6]'
_cell_volume [349.7055]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.2211  0.7500  0.2485  1
  Na  Na1  2  0.0908  0.7500  0.5877  1
  Tm  Tm2  2  0.3241  0.2500  0.8476  1
  Se  Se3  2  0.1121  0.7500  0.8761  1
  Se  Se4  2  0.2571  0.2500  0.5329  1
  Se  Se5  2  0.4574  0.2500  0.1526  1
]