data_[Be2Hg2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.2796]
_cell_length_b [7.5942]
_cell_length_c [7.1673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BeHgTe2]
_chemical_formula_sum '[Be2 Hg2 Te4]'
_cell_volume [232.9389]
_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
[
  Be  Be0  2  0.5000  0.3453  0.4306  1.0
  Hg  Hg1  2  0.0000  0.1702  0.9403  1.0
  Te  Te2  2  0.0000  0.1941  0.3373  1.0
  Te  Te3  2  0.5000  0.3674  0.7759  1.0
]