data_[Ba6Tm2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9019]
_cell_length_b [14.3949]
_cell_length_c [17.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba3TmAs3]
_chemical_formula_sum '[Ba6 Tm2 As6]'
_cell_volume [2183.2928]
_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  4  0.2248  0.2948  0.4366  1
  Ba  Ba1  2  0.1601  0.0000  0.5544  1
  Tm  Tm2  2  0.0957  0.5000  0.5562  1
  As  As3  4  0.4246  0.1506  0.5261  1
  As  As4  2  0.3471  0.5000  0.4640  1
]