data_[Tm2Ag3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7270]
_cell_length_b [4.3494]
_cell_length_c [19.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tm2(AgAs)3]
_chemical_formula_sum '[Tm2 Ag3 As3]'
_cell_volume [563.3969]
_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  0.3893  0.5000  0.5534  1
  Tm  Tm1  1  0.8734  0.5000  0.5195  1
  Ag  Ag2  1  0.0685  0.0000  0.6118  1
  Ag  Ag3  1  0.1610  0.0000  0.4699  1
  Ag  Ag4  1  0.6045  0.0000  0.4576  1
  As  As5  1  0.1934  0.5000  0.4026  1
  As  As6  1  0.5591  0.5000  0.3907  1
  As  As7  1  0.6508  0.0000  0.5945  1
]