data_[Sr4Ni2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ni  1.9100  1.3500  0.7400
  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 [5.6462]
_cell_length_b [5.6296]
_cell_length_c [9.7699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2NiMoO6]
_chemical_formula_sum '[Sr4 Ni2 Mo2 O12]'
_cell_volume [253.4957]
_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
[
  Sr  Sr0  4  0.2477  0.0186  0.2506  1
  Ni  Ni1  2  0.5000  0.0000  0.0000  1
  Mo  Mo2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1895  0.2334  0.9729  1
  O  O4  4  0.2384  0.7181  0.9734  1
  O  O5  4  0.2931  0.0064  0.7411  1
]