data_[Sr4Sc2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  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 [5.7281]
_cell_length_b [5.7174]
_cell_length_c [9.9555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2ScMoO6]
_chemical_formula_sum '[Sr4 Sc2 Mo2 O12]'
_cell_volume [267.3631]
_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  0.2546  0.0236  0.2520  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1887  0.0103  0.7461  1.0
  O  O4  4  0.2343  0.7305  0.5290  1.0
  O  O5  4  0.3090  0.2150  0.5306  1.0
]