data_BaAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   132.06
_cell_angle_beta   132.06
_cell_angle_gamma   70.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgAs2
_chemical_formula_sum   'Ba1 Ag1 As2'
_cell_volume   103.28
_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  Ba3  1  0.34  0.0  0.36  1.0
  Ag  Ag0  1  0.0  0.0  0.71  1.0
  As  As1  1  0.0  0.34  0.36  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_BaAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.76
_cell_angle_alpha   113.97
_cell_angle_beta   113.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgAs2
_chemical_formula_sum   'Ba1 Ag1 As2'
_cell_volume   103.28
_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  0.36  0.02  0.02  1.0
  Ag  Ag1  1  0.71  0.71  0.71  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.02  0.36  0.02  1.0

Ba Ag As As