data_ZrBeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   37.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeTe2
_chemical_formula_sum   'Zr1 Be1 Te2'
_cell_volume   87.7
_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
  Zr  Zr3  1  0.92  0.0  0.54  1.0
  Be  Be0  1  0.0  0.0  0.59  1.0
  Te  Te1  1  0.0  0.0  0.16  1.0
  Te  Te2  1  0.92  0.0  0.87  1.0

data_ZrBeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.91
_cell_length_c   6.15
_cell_angle_alpha   108.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeTe2
_chemical_formula_sum   'Zr1 Be1 Te2'
_cell_volume   87.7
_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
  Zr  Zr0  1  0.08  0.54  0.54  1.0
  Be  Be1  1  0.0  0.59  0.59  1.0
  Te  Te2  1  0.0  0.16  0.16  1.0
  Te  Te3  1  0.08  0.87  0.87  1.0

Zr Be Te Te
Zr Be Te Te 0 1 + o o 0 3 o o o 1 3 - o o 2 3 - o - 