data_BaAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgP2
_chemical_formula_sum   'Ba1 Ag1 P2'
_cell_volume   95.47
_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  0.66  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.83  0.97  0.61  1.0
  P  P3  1  0.83  0.03  0.61  1.0

data_BaAgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   95.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgP2
_chemical_formula_sum   'Ba1 Ag1 P2'
_cell_volume   95.47
_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  -0.0  0.66  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.61  0.83  0.03  1.0
  P  P3  1  0.61  0.83  0.97  1.0

Ba Ag P P
Ba Ag P P 0 2 o - - 0 3 o o - 0 1 + o o 1 2 - - - 1 3 - o - 2 3 o + o 