data_[Tm8Cr2Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9381]
_cell_length_b [3.9215]
_cell_length_c [11.8694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm4CrSe7]
_chemical_formula_sum '[Tm8 Cr2 Se14]'
_cell_volume [580.5744]
_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  0.0015  0.0000  0.0070  1.0
  Tm  Tm1  2  0.1937  0.5000  0.8030  1.0
  Tm  Tm2  2  0.3057  0.0000  0.2057  1.0
  Tm  Tm3  2  0.3868  0.5000  0.5639  1.0
  Cr  Cr4  2  0.1149  0.0000  0.4243  1.0
  Se  Se5  2  0.0064  0.5000  0.4947  1.0
  Se  Se6  2  0.0360  0.0000  0.7849  1.0
  Se  Se7  2  0.1634  0.5000  0.0507  1.0
  Se  Se8  2  0.2296  0.5000  0.3525  1.0
  Se  Se9  2  0.2536  0.0000  0.6356  1.0
  Se  Se10  2  0.3405  0.0000  0.9493  1.0
  Se  Se11  2  0.4676  0.5000  0.2285  1.0
]