data_[Sr2Mg1Fe1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7430]
_cell_length_b [5.7828]
_cell_length_c [5.8328]
_cell_angle_alpha [61.5032]
_cell_angle_beta [64.4295]
_cell_angle_gamma [87.8599]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MgFeMoO6]
_chemical_formula_sum '[Sr2 Mg1 Fe1 Mo1 O6]'
_cell_volume [150.0529]
_cell_formula_units_Z [1]
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  2  0.1362  0.6922  0.6195  1
  Mg  Mg1  1  0.5000  0.0000  0.0000  1
  Fe  Fe2  1  0.0000  0.0000  0.0000  1
  Mo  Mo3  1  0.5000  0.5000  0.0000  1
  O  O4  2  0.2156  0.7318  0.1130  1
  O  O5  2  0.2554  0.1705  0.4805  1
  O  O6  2  0.2563  0.2689  0.9494  1
]