data_HfBeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   115.72
_cell_angle_beta   115.72
_cell_angle_gamma   97.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeTe2
_chemical_formula_sum   'Hf1 Be1 Te2'
_cell_volume   87.27
_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
  Hf  Hf1  1  0.0  0.0  0.22  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.6  0.61  1.0
  Te  Te3  1  0.6  0.0  0.61  1.0

data_HfBeTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   7.36
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   131.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfBeTe2
_chemical_formula_sum   'Hf2 Be2 Te4'
_cell_volume   174.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.28  0.5  0.78  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Te  Te2  4  0.19  0.2  0.39  1.0

Hf Be Te Te