data_[Tm1Sn3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8478]
_cell_length_b [11.3043]
_cell_length_c [17.6718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm(SnAs)3]
_chemical_formula_sum '[Tm1 Sn3 As3]'
_cell_volume [768.6637]
_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
[
  Tm  Tm0  1  0.0000  0.5000  0.4334  1
  Sn  Sn1  2  0.0000  0.1650  0.5317  1
  Sn  Sn2  1  0.5000  0.5000  0.5846  1
  As  As3  2  0.5000  0.3301  0.4683  1
  As  As4  1  0.5000  0.0000  0.4821  1
]