data_BaZnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   22.42
_cell_angle_beta   22.42
_cell_angle_gamma   22.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnP2
_chemical_formula_sum   'Ba1 Zn1 P2'
_cell_volume   92.4
_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  0.0  0.57  1.0
  Zn  Zn3  1  0.0  0.0  0.63  1.0
  P  P1  1  0.0  0.0  0.59  1.0
  P  P2  1  0.0  0.0  0.84  1.0

data_BaZnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   3.49
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZnP2
_chemical_formula_sum   'Ba2 Zn2 P4'
_cell_volume   184.81
_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
  Ba  Ba0  2  0.0  0.0  0.43  1.0
  Zn  Zn1  2  0.0  0.0  0.37  1.0
  P  P2  2  0.0  0.0  0.16  1.0
  P  P3  2  0.0  0.0  0.41  1.0

Ba Zn P P
Ba Zn P P 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 