data_[Sr4Nd2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  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 [5.8962]
_cell_length_b [6.0219]
_cell_length_c [10.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2NdMoO6]
_chemical_formula_sum '[Sr4 Nd2 Mo2 O12]'
_cell_volume [301.0255]
_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  0.2618  0.5442  0.7535  1.0
  Nd  Nd1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1424  0.5338  0.2320  1.0
  O  O4  4  0.2252  0.2296  0.0503  1.0
  O  O5  4  0.3271  0.6857  0.0458  1.0
]