data_ZrFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   140.28
_cell_angle_beta   140.28
_cell_angle_gamma   57.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeTe2
_chemical_formula_sum   'Zr1 Fe1 Te2'
_cell_volume   86.79
_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  0.0  0.03  0.62  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.03  0.0  0.62  1.0
  Te  Te2  1  0.0  0.0  0.25  1.0

data_ZrFeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.99
_cell_angle_alpha   109.86
_cell_angle_beta   109.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeTe2
_chemical_formula_sum   'Zr1 Fe1 Te2'
_cell_volume   86.79
_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  0.41  0.03  0.41  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.38  0.0  0.41  1.0
  Te  Te3  1  0.75  0.0  0.75  1.0

Zr Fe Te Te
Zr Fe Te Te 0 2 o o o 1 3 o o o 