data_[Be2Sn4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.5608]
_cell_length_b [4.1030]
_cell_length_c [18.2736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeSn2Te3]
_chemical_formula_sum '[Be2 Sn4 Te6]'
_cell_volume [1241.6807]
_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  0.1553  0.0000  0.5071  1
  Sn  Sn1  2  0.3263  0.5000  0.5080  1
  Sn  Sn2  2  0.4908  0.0000  0.5460  1
  Te  Te3  2  0.0226  0.0000  0.4362  1
  Te  Te4  2  0.1646  0.5000  0.5910  1
  Te  Te5  2  0.2623  0.0000  0.4118  1
]