data_[Tm2Zn6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.0624]
_cell_length_b [4.0607]
_cell_length_c [18.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm(ZnAs)3]
_chemical_formula_sum '[Tm2 Zn6 As6]'
_cell_volume [1141.2745]
_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  0.0116  0.0000  0.5520  1
  Zn  Zn1  2  0.0918  0.5000  0.4507  1
  Zn  Zn2  2  0.2215  0.0000  0.5630  1
  Zn  Zn3  2  0.3924  0.5000  0.4369  1
  As  As4  2  0.0468  0.0000  0.3930  1
  As  As5  2  0.1310  0.5000  0.5891  1
  As  As6  2  0.3684  0.0000  0.5152  1
]