data_ZrGa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Se
_chemical_formula_sum   'Zr1 Ga2 Se1'
_cell_volume   81.65
_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  0.32  0.0  0.92  1.0
  Ga  Ga0  1  0.0  0.0  0.21  1.0
  Ga  Ga1  1  0.32  0.0  0.67  1.0
  Se  Se2  1  0.0  0.0  0.25  1.0

data_ZrGa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Se
_chemical_formula_sum   'Zr1 Ga2 Se1'
_cell_volume   81.65
_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  0.32  0.0  0.92  1.0
  Ga  Ga1  1  0.0  0.0  0.21  1.0
  Ga  Ga2  1  0.32  0.0  0.67  1.0
  Se  Se3  1  0.0  0.0  0.25  1.0

Zr Ga Ga Se