data_[Tm2Cu2As2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0357]
_cell_length_b [5.2214]
_cell_length_c [7.5525]
_cell_angle_alpha [96.6310]
_cell_angle_beta [104.8425]
_cell_angle_gamma [98.0257]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmCuAsO4]
_chemical_formula_sum '[Tm2 Cu2 As2 O8]'
_cell_volume [187.6856]
_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  0.0715  0.2885  0.6671  1
  Cu  Cu1  2  0.3186  0.7825  0.0019  1
  As  As2  2  0.4323  0.2093  0.3426  1
  O  O3  2  0.1816  0.9416  0.1824  1
  O  O4  2  0.1935  0.4286  0.4215  1
  O  O5  2  0.2646  0.9714  0.5736  1
  O  O6  2  0.4411  0.6033  0.8212  1
]