data_[Nd2Tm1As1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0547]
_cell_length_b [5.9806]
_cell_length_c [6.5497]
_cell_angle_alpha [73.3431]
_cell_angle_beta [89.2449]
_cell_angle_gamma [89.7308]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd2TmAsO6]
_chemical_formula_sum '[Nd2 Tm1 As1 O6]'
_cell_volume [152.1492]
_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
[
  Nd  Nd0  1  0.2787  0.4434  0.8091  1
  Nd  Nd1  1  0.8409  0.5465  0.2912  1
  Tm  Tm2  1  0.7608  0.9832  0.8119  1
  As  As3  1  0.5003  0.0144  0.3684  1
  O  O4  1  0.2598  0.0597  0.8366  1
  O  O5  1  0.2727  0.7373  0.4336  1
  O  O6  1  0.3012  0.2910  0.2316  1
  O  O7  1  0.7312  0.9588  0.1583  1
  O  O8  1  0.7735  0.3583  0.6350  1
  O  O9  1  0.7809  0.6074  0.9244  1
]