data_BaSr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   153.29
_cell_angle_beta   145.94
_cell_angle_gamma   43.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2As
_chemical_formula_sum   'Ba1 Sr2 As1'
_cell_volume   173.02
_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
  Ba  Ba1  1  0.04  0.0  0.55  1.0
  Sr  Sr2  1  0.0  0.0  0.01  1.0
  Sr  Sr3  1  0.0  0.59  0.58  1.0
  As  As0  1  0.0  0.0  0.25  1.0

data_BaSr2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.17
_cell_length_c   8.83
_cell_angle_alpha   107.03
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2As
_chemical_formula_sum   'Ba1 Sr2 As1'
_cell_volume   173.02
_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
  Ba  Ba0  1  0.49  0.45  0.49  1.0
  Sr  Sr1  1  0.42  0.0  0.0  1.0
  Sr  Sr2  1  0.99  0.99  0.99  1.0
  As  As3  1  0.75  0.75  0.75  1.0

Ba Sr Sr As