data_Ga2NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   3.77
_cell_angle_alpha   107.11
_cell_angle_beta   107.11
_cell_angle_gamma   31.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiSe
_chemical_formula_sum   'Ga2 Ni1 Se1'
_cell_volume   70.57
_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
  Ga  Ga0  1  0.97  0.0  0.68  1.0
  Ga  Ga1  1  0.77  0.0  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.37  0.0  0.79  1.0

data_Ga2NiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.77
_cell_length_c   6.17
_cell_angle_alpha   107.11
_cell_angle_beta   105.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2NiSe
_chemical_formula_sum   'Ga2 Ni1 Se1'
_cell_volume   70.57
_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
  Ga  Ga0  1  0.0  0.68  0.97  1.0
  Ga  Ga1  1  0.0  0.91  0.77  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.79  0.37  1.0

Ga Ga Ni Se