data_[Na2Ca4Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6051]
_cell_length_b [5.9083]
_cell_length_c [9.6851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCa2MoO6]
_chemical_formula_sum '[Na2 Ca4 Mo2 O12]'
_cell_volume [267.4579]
_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  0.5000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.2914  0.5663  0.7637  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0824  0.5679  0.2185  1.0
  O  O4  4  0.2498  0.2331  0.0873  1.0
  O  O5  4  0.3290  0.6784  0.0527  1.0
]