data_ScBe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   137.74
_cell_angle_beta   137.74
_cell_angle_gamma   61.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Te
_chemical_formula_sum   'Sc1 Be2 Te1'
_cell_volume   64.46
_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
  Sc  Sc2  1  0.0  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.89  0.0  0.26  1.0
  Te  Te3  1  0.0  0.89  0.26  1.0

data_ScBe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.24
_cell_angle_alpha   111.13
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBe2Te
_chemical_formula_sum   'Sc1 Be2 Te1'
_cell_volume   64.46
_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
  Sc  Sc0  1  0.49  0.0  0.49  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.74  0.0  0.64  1.0
  Te  Te3  1  0.64  0.89  0.64  1.0

Sc Be Be Te