data_ZrGa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Te
_chemical_formula_sum   'Zr1 Ga2 Te1'
_cell_volume   86.76
_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  0.0  1.0
  Ga  Ga0  1  0.02  0.0  0.99  1.0
  Ga  Ga1  1  0.02  0.0  0.81  1.0
  Te  Te2  1  0.0  0.0  0.4  1.0

data_ZrGa2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.04
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrGa2Te
_chemical_formula_sum   'Zr2 Ga4 Te2'
_cell_volume   173.52
_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, -y, z'
  4  '-x, y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  'x+1/2, -y+1/2, z'
  8  '-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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.01  0.0  0.81  1.0
  Ga  Ga2  2  0.01  0.0  0.99  1.0
  Te  Te3  2  0.0  0.0  0.4  1.0

Zr Ga Ga Te