data_Zr2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.49
_cell_angle_alpha   100.94
_cell_angle_beta   100.94
_cell_angle_gamma   37.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaSi
_chemical_formula_sum   'Zr2 Ga1 Si1'
_cell_volume   78.16
_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  Zr2  1  0.51  0.0  0.06  1.0
  Zr  Zr3  1  0.6  0.0  0.32  1.0
  Ga  Ga0  1  0.05  0.0  0.69  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_Zr2GaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.87
_cell_length_c   5.49
_cell_angle_alpha   100.94
_cell_angle_beta   90.0
_cell_angle_gamma   108.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaSi
_chemical_formula_sum   'Zr2 Ga1 Si1'
_cell_volume   78.16
_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  0.4  0.68  1.0
  Zr  Zr1  1  0.0  0.49  0.94  1.0
  Ga  Ga2  1  0.0  0.95  0.31  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Zr Zr Ga Si