data_ZrGa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.82
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Te
_chemical_formula_sum   'Zr1 Ga2 Te1'
_cell_volume   84.31
_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  0.0  0.52  1.0
  Ga  Ga0  1  0.85  0.91  0.01  1.0
  Ga  Ga1  1  0.0  0.0  0.37  1.0
  Te  Te2  1  0.85  0.91  0.01  1.0

data_ZrGa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.82
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Te
_chemical_formula_sum   'Zr1 Ga2 Te1'
_cell_volume   84.31
_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  0.0  0.52  1.0
  Ga  Ga1  1  0.0  0.0  0.37  1.0
  Ga  Ga2  1  0.85  0.91  0.01  1.0
  Te  Te3  1  0.85  0.91  0.01  1.0

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