data_ZrGaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.57
_cell_angle_alpha   98.14
_cell_angle_beta   98.14
_cell_angle_gamma   40.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaTe2
_chemical_formula_sum   'Zr1 Ga1 Te2'
_cell_volume   100.5
_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  0.59  0.0  0.75  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.55  0.0  0.99  1.0
  Te  Te2  1  0.62  0.0  0.52  1.0

data_ZrGaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.33
_cell_length_c   5.57
_cell_angle_alpha   98.14
_cell_angle_beta   90.0
_cell_angle_gamma   110.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaTe2
_chemical_formula_sum   'Zr1 Ga1 Te2'
_cell_volume   100.5
_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  0.0  0.41  0.25  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.38  0.48  1.0
  Te  Te3  1  0.0  0.45  0.01  1.0

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