data_[Er4Ga4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7533]
_cell_length_b [4.5054]
_cell_length_c [7.2187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErGaHg]
_chemical_formula_sum '[Er4 Ga4 Hg4]'
_cell_volume [266.2072]
_cell_formula_units_Z [4]
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
[
  Er  Er0  4  0.0444  0.5000  0.2948  1.0
  Ga  Ga1  4  0.1542  0.0000  0.6595  1.0
  Hg  Hg2  4  0.1715  0.0000  0.0994  1.0
]