data_[Be1Cd1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5639]
_cell_length_b [3.6800]
_cell_length_c [7.3390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BeCdTe2]
_chemical_formula_sum '[Be1 Cd1 Te2]'
_cell_volume [119.9613]
_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
[
  Be  Be0  1  0.0000  0.5000  0.0000  1
  Cd  Cd1  1  0.5000  0.5000  0.5000  1
  Te  Te2  2  0.0658  0.0000  0.2378  1
]