data_[Tm1In3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5321]
_cell_length_b [20.3731]
_cell_length_c [6.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm(InAs)3]
_chemical_formula_sum '[Tm1 In3 As3]'
_cell_volume [607.3767]
_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  0.0000  0.0090  1
  In  In1  2  0.5000  0.1319  0.0415  1
  In  In2  1  0.5000  0.0000  0.3855  1
  As  As3  2  0.0000  0.1022  0.2843  1
  As  As4  1  0.5000  0.0000  0.7882  1
]