data_Sr2NbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   5.64
_cell_angle_alpha   113.54
_cell_angle_beta   113.54
_cell_angle_gamma   33.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbAs
_chemical_formula_sum   'Sr2 Nb1 As1'
_cell_volume   120.03
_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
  Sr  Sr2  1  0.11  0.0  0.09  1.0
  Sr  Sr3  1  0.89  0.0  0.55  1.0
  Nb  Nb1  1  0.42  0.0  0.56  1.0
  As  As0  1  0.61  0.0  0.5  1.0

data_Sr2NbAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.64
_cell_length_c   6.47
_cell_angle_alpha   113.54
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbAs
_chemical_formula_sum   'Sr2 Nb1 As1'
_cell_volume   120.03
_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
  Sr  Sr0  1  0.0  0.09  0.11  1.0
  Sr  Sr1  1  0.0  0.55  0.89  1.0
  Nb  Nb2  1  0.0  0.56  0.42  1.0
  As  As3  1  0.0  0.5  0.61  1.0

Sr Sr Nb As
Sr Sr Nb As 0 1 - o - 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 