data_[Ca4Sm2Mg6Cd2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3486]
_cell_length_b [13.7280]
_cell_length_c [7.9135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2SmMg3CdHg2]
_chemical_formula_sum '[Ca4 Sm2 Mg6 Cd2 Hg4]'
_cell_volume [472.4123]
_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  0.2080  0.7938  1
  Sm  Sm1  2  0.0000  0.0000  0.4144  1
  Mg  Mg2  4  0.5000  0.1226  0.1253  1
  Mg  Mg3  2  0.5000  0.0000  0.7498  1
  Cd  Cd4  2  0.0000  0.0000  0.9983  1
  Hg  Hg5  4  0.5000  0.1663  0.4997  1
]