data_[Er8In4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1535]
_cell_length_b [6.6520]
_cell_length_c [9.0009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er4In2Hg]
_chemical_formula_sum '[Er8 In4 Hg2]'
_cell_volume [398.2188]
_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
[
  Er  Er0  4  0.3384  0.5075  0.7745  1
  Er  Er1  2  0.1912  0.2500  0.1688  1
  Er  Er2  2  0.4043  0.7500  0.4444  1
  In  In3  2  0.0620  0.2500  0.4666  1
  In  In4  2  0.2812  0.7500  0.0585  1
  Hg  Hg5  2  0.0189  0.2500  0.8059  1
]