data_[Na4Ca2Hg2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.4355]
_cell_length_b [8.7850]
_cell_length_c [7.4768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaHgAs2]
_chemical_formula_sum '[Na4 Ca2 Hg2 As4]'
_cell_volume [291.3426]
_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
[
  Na  Na0  2  0.0000  0.1734  0.3614  1.0
  Na  Na1  2  0.5000  0.0825  0.0394  1.0
  Ca  Ca2  2  0.0000  0.4381  0.9774  1.0
  Hg  Hg3  2  0.5000  0.3057  0.6422  1.0
  As  As4  2  0.0000  0.1511  0.7602  1.0
  As  As5  2  0.5000  0.3843  0.2650  1.0
]