data_[Tm2Cu6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7845]
_cell_length_b [5.7381]
_cell_length_c [20.7313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm(CuAs)3]
_chemical_formula_sum '[Tm2 Cu6 As6]'
_cell_volume [688.1136]
_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  0.1200  0.0000  0.4826  1
  Cu  Cu1  4  0.3674  0.2455  0.3753  1
  Cu  Cu2  2  0.1391  0.0000  0.6517  1
  As  As3  4  0.3540  0.2722  0.5903  1
  As  As4  2  0.1217  0.5000  0.4347  1
]