data_[Sr2Co2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6239]
_cell_length_b [3.6239]
_cell_length_c [10.8377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SrCoHg]
_chemical_formula_sum '[Sr2 Co2 Hg2]'
_cell_volume [142.3238]
_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  0.0000  0.3358  1
  Co  Co1  2  0.0000  0.0000  0.0388  1
  Hg  Hg2  2  0.0000  0.0000  0.6254  1
]