data_[Na2Tm1Mo1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6568]
_cell_length_b [3.3259]
_cell_length_c [5.8506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2TmMoO4]
_chemical_formula_sum '[Na2 Tm1 Mo1 O4]'
_cell_volume [104.0737]
_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
[
  Na  Na0  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Tm  Tm2  1  0.5000  0.5000  0.0000  1.0
  Mo  Mo3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.2294  0.5000  0.2091  1.0
  O  O5  2  0.2609  0.0000  0.7883  1.0
]