data_[Sr3Mn3Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7235]
_cell_length_b [7.7235]
_cell_length_c [4.7371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [SrMnHg]
_chemical_formula_sum '[Sr3 Mn3 Hg3]'
_cell_volume [244.7196]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.5782  0.0000  1
  Mn  Mn1  3  0.0000  0.2148  0.5000  1
  Hg  Hg2  2  0.3333  0.6667  0.5000  1
  Hg  Hg3  1  0.0000  0.0000  0.0000  1
]