data_[Na2Cu2Mo2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3156]
_cell_length_b [6.4641]
_cell_length_c [6.5396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCuMoO4]
_chemical_formula_sum '[Na2 Cu2 Mo2 O8]'
_cell_volume [234.1379]
_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
[
  Na  Na0  2  0.3697  0.2500  0.0410  1.0
  Cu  Cu1  2  0.2257  0.7500  0.2718  1.0
  Mo  Mo2  2  0.0911  0.2500  0.3415  1.0
  O  O3  4  0.2261  0.0313  0.2670  1.0
  O  O4  2  0.1648  0.2500  0.6404  1.0
  O  O5  2  0.2287  0.7500  0.8335  1.0
]