data_[Ba4Tm2Mg4Bi8]
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
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9740]
_cell_length_b [4.8790]
_cell_length_c [7.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tm(MgBi2)2]
_chemical_formula_sum '[Ba4 Tm2 Mg4 Bi8]'
_cell_volume [619.4932]
_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  0.1352  0.0000  0.5898  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1693  0.5000  0.9885  1.0
  Bi  Bi3  4  0.0011  0.5000  0.2655  1.0
  Bi  Bi4  4  0.2013  0.0000  0.2049  1.0
]