data_TiBe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.74
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   92.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Te
_chemical_formula_sum   'Ti1 Be2 Te1'
_cell_volume   63.29
_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
  Ti  Ti3  1  0.54  0.0  0.07  1.0
  Be  Be0  1  0.23  0.87  0.13  1.0
  Be  Be1  1  0.61  0.0  0.99  1.0
  Te  Te2  1  0.21  0.87  0.67  1.0

data_TiBe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.74
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   92.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2Te
_chemical_formula_sum   'Ti1 Be2 Te1'
_cell_volume   63.29
_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
  Ti  Ti0  1  0.54  0.0  0.07  1.0
  Be  Be1  1  0.23  0.87  0.13  1.0
  Be  Be2  1  0.61  0.0  0.99  1.0
  Te  Te3  1  0.21  0.87  0.67  1.0

Ti Be Be Te