data_[Y1Tm1Fe2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7772]
_cell_length_b [3.7772]
_cell_length_c [11.0186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YTm(FeCl)2]
_chemical_formula_sum '[Y1 Tm1 Fe2 Cl2]'
_cell_volume [136.1403]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.0000  0.0000  0.6813  1
  Tm  Tm1  1  0.0000  0.0000  0.3198  1
  Fe  Fe2  1  0.3333  0.6667  0.5082  1
  Fe  Fe3  1  0.6667  0.3333  0.4888  1
  Cl  Cl4  1  0.3333  0.6667  0.1636  1
  Cl  Cl5  1  0.6667  0.3333  0.8383  1
]