data_[Tm2Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9269]
_cell_length_b [3.6566]
_cell_length_c [18.7735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmMgCl4]
_chemical_formula_sum '[Tm2 Mg2 Cl8]'
_cell_volume [887.3978]
_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
[
  Tm  Tm0  2  0.3931  0.2500  0.4989  1
  Mg  Mg1  2  0.1230  0.7500  0.5003  1
  Cl  Cl2  2  0.0405  0.2500  0.5734  1
  Cl  Cl3  2  0.2058  0.2500  0.4273  1
  Cl  Cl4  2  0.2852  0.7500  0.5768  1
  Cl  Cl5  2  0.4520  0.7500  0.3995  1
]