data_[Sr4Ca6Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5537]
_cell_length_b [4.9144]
_cell_length_c [9.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ca3Hg2]
_chemical_formula_sum '[Sr4 Ca6 Hg4]'
_cell_volume [522.2965]
_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  0.1478  0.0000  0.8012  1.0
  Ca  Ca1  4  0.1312  0.5000  0.4394  1.0
  Ca  Ca2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1518  0.0000  0.2134  1.0
]