data_NaGa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   7.9
_cell_angle_alpha   28.54
_cell_angle_beta   28.54
_cell_angle_gamma   28.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2As
_chemical_formula_sum   'Na1 Ga2 As1'
_cell_volume   99.63
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.2  1.0
  Ga  Ga2  1  0.0  0.0  0.53  1.0
  As  As0  1  0.0  0.0  0.37  1.0

data_NaGa2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.75
_cell_length_b   3.9
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGa2As
_chemical_formula_sum   'Na2 Ga4 As2'
_cell_volume   199.25
_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+1/2, y+1/2, z'
  4  '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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.47  1.0
  Ga  Ga2  2  0.0  0.0  0.8  1.0
  As  As3  2  0.0  0.0  0.63  1.0

Na Ga Ga As
Na Ga Ga As 0 1 o o o 1 3 o o o 2 3 o o o 