data_[Ca4Pr2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.3315]
_cell_length_b [5.4067]
_cell_length_c [11.1262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2PrHg2]
_chemical_formula_sum '[Ca4 Pr2 Hg4]'
_cell_volume [320.7226]
_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  0.0000  0.5000  0.6727  1
  Ca  Ca1  2  0.0000  0.5000  0.9981  1
  Pr  Pr2  2  0.0000  0.5000  0.3303  1
  Hg  Hg3  2  0.0000  0.0000  0.4974  1
  Hg  Hg4  2  0.0000  0.0000  0.8330  1
]