data_CaZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   138.12
_cell_angle_beta   129.41
_cell_angle_gamma   67.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnGa2
_chemical_formula_sum   'Ca1 Zn1 Ga2'
_cell_volume   85.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.58  1.0
  Ga  Ga1  1  0.0  0.36  0.1  1.0
  Ga  Ga2  1  0.97  0.0  0.48  1.0

data_CaZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.71
_cell_length_c   5.51
_cell_angle_alpha   115.29
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnGa2
_chemical_formula_sum   'Ca1 Zn1 Ga2'
_cell_volume   85.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.42  0.42  0.42  1.0
  Ga  Ga2  1  0.49  0.52  0.49  1.0
  Ga  Ga3  1  0.9  0.26  0.26  1.0

Ca Zn Ga Ga