data_[Er4Hg1Sb1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0597]
_cell_length_b [4.0905]
_cell_length_c [7.5279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4HgSbSe2]
_chemical_formula_sum '[Er4 Hg1 Sb1 Se2]'
_cell_volume [206.5319]
_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
[
  Er  Er0  2  0.2497  0.5000  0.2361  1
  Er  Er1  2  0.2562  0.0000  0.7625  1
  Hg  Hg2  1  0.5000  0.0000  0.5000  1
  Sb  Sb3  1  0.0000  0.5000  0.5000  1
  Se  Se4  1  0.0000  0.0000  0.0000  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]