data_[Ca4In10Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6628]
_cell_length_b [10.1745]
_cell_length_c [6.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2In5Hg12]
_chemical_formula_sum '[Ca4 In10 Hg24]'
_cell_volume [997.7944]
_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
[
  Ca  Ca0  4  0.0000  0.2211  0.0000  1
  In  In1  4  0.1518  0.5000  0.8532  1
  In  In2  4  0.2048  0.0000  0.4491  1
  In  In3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  8  0.1020  0.2600  0.5788  1
  Hg  Hg5  8  0.2044  0.2868  0.1972  1
  Hg  Hg6  4  0.0527  0.5000  0.2689  1
  Hg  Hg7  4  0.1410  0.0000  0.9422  1
]