data_[Tm4Mg4Cl4]
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 [Amm2]
_cell_length_a [18.1099]
_cell_length_b [3.4292]
_cell_length_c [5.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TmMgCl]
_chemical_formula_sum '[Tm4 Mg4 Cl4]'
_cell_volume [369.0694]
_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
[
  Tm  Tm0  4  0.3456  0.0000  0.6696  1
  Mg  Mg1  2  0.0000  0.0000  0.5527  1
  Mg  Mg2  2  0.5000  0.0000  0.3356  1
  Cl  Cl3  4  0.0862  0.0000  0.2195  1
]