data_[Tm4Cr4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8953]
_cell_length_b [7.1073]
_cell_length_c [6.6171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmCrClO4]
_chemical_formula_sum '[Tm4 Cr4 Cl4 O16]'
_cell_volume [448.3232]
_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  0.2233  0.0000  0.1124  1.0
  Cr  Cr1  4  0.1396  0.5000  0.2698  1.0
  Cl  Cl2  4  0.0134  0.0000  0.7633  1.0
  O  O3  8  0.1927  0.3152  0.1477  1.0
  O  O4  4  0.0318  0.5000  0.7732  1.0
  O  O5  4  0.2141  0.5000  0.5227  1.0
]