data_[Sr2Hg4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5522]
_cell_length_b [3.1805]
_cell_length_c [5.4778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrHg2Mo]
_chemical_formula_sum '[Sr2 Hg4 Mo2]'
_cell_volume [187.6649]
_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  0.2383  0.0000  0.8081  1
  Hg  Hg1  2  0.0012  0.0000  0.9484  1
  Hg  Hg2  2  0.2695  0.5000  0.3459  1
  Mo  Mo3  2  0.4910  0.0000  0.3976  1
]