data_[Sr3Ca5Hg3]
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 [P-62m]
_cell_length_a [9.6215]
_cell_length_b [9.6215]
_cell_length_c [6.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sr3Ca5Hg3]
_chemical_formula_sum '[Sr3 Ca5 Hg3]'
_cell_volume [508.0554]
_cell_formula_units_Z [1]
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  3  0.0000  0.5933  0.0000  1
  Ca  Ca1  3  0.0000  0.2496  0.5000  1
  Ca  Ca2  2  0.3333  0.6667  0.5000  1
  Hg  Hg3  3  0.0000  0.6278  0.5000  1
]