data_[Sr4Ga3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4086]
_cell_length_b [4.6879]
_cell_length_c [12.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr4Ga3Hg]
_chemical_formula_sum '[Sr4 Ga3 Hg1]'
_cell_volume [256.5979]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.1461  1
  Sr  Sr1  1  0.0000  0.5000  0.8530  1
  Sr  Sr2  1  0.5000  0.0000  0.6436  1
  Sr  Sr3  1  0.5000  0.5000  0.3588  1
  Ga  Ga4  1  0.0000  0.0000  0.4382  1
  Ga  Ga5  1  0.0000  0.5000  0.5628  1
  Ga  Ga6  1  0.5000  0.0000  0.9274  1
  Hg  Hg7  1  0.5000  0.5000  0.0701  1
]