data_[Sr4Ca2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Pmm2]
_cell_length_a [5.8919]
_cell_length_b [8.3532]
_cell_length_c [5.9531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2CaMoO6]
_chemical_formula_sum '[Sr4 Ca2 Mo2 O12]'
_cell_volume [292.9862]
_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  2  0.0000  0.2544  0.5193  1.0
  Sr  Sr1  2  0.5000  0.2486  0.9899  1.0
  Ca  Ca2  1  0.0000  0.5000  0.9975  1.0
  Ca  Ca3  1  0.5000  0.0000  0.4733  1.0
  Mo  Mo4  1  0.0000  0.0000  0.9707  1.0
  Mo  Mo5  1  0.5000  0.5000  0.4904  1.0
  O  O6  2  0.0000  0.2323  0.9589  1.0
  O  O7  2  0.2219  0.0000  0.7233  1.0
  O  O8  2  0.2455  0.0000  0.1813  1.0
  O  O9  2  0.2646  0.5000  0.2637  1.0
  O  O10  2  0.2697  0.5000  0.7256  1.0
  O  O11  2  0.5000  0.2682  0.4821  1.0
]