data_[Pr2Mg3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4965]
_cell_length_b [5.1961]
_cell_length_c [9.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2Mg3Hg]
_chemical_formula_sum '[Pr2 Mg3 Hg1]'
_cell_volume [163.8044]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.4913  1.0
  Pr  Pr1  1  0.0000  0.5000  0.0090  1.0
  Mg  Mg2  1  0.5000  0.0000  0.1659  1.0
  Mg  Mg3  1  0.5000  0.0000  0.8315  1.0
  Mg  Mg4  1  0.5000  0.5000  0.6661  1.0
  Hg  Hg5  1  0.5000  0.5000  0.3363  1.0
]