data_[Ca2Hg4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1459]
_cell_length_b [3.0624]
_cell_length_c [5.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaHg2W]
_chemical_formula_sum '[Ca2 Hg4 W2]'
_cell_volume [170.0175]
_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  2  0.2548  0.5000  0.1748  1
  Hg  Hg1  2  0.0006  0.0000  0.0769  1
  Hg  Hg2  2  0.2424  0.0000  0.6526  1
  W  W3  2  0.0023  0.5000  0.5956  1
]