data_BaSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   139.8
_cell_angle_beta   139.8
_cell_angle_gamma   58.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2P
_chemical_formula_sum   'Ba1 Sn2 P1'
_cell_volume   116.92
_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  0.74  1.0
  Sn  Sn2  1  0.26  0.0  0.87  1.0
  Sn  Sn3  1  0.0  0.26  0.87  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_BaSn2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   119.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSn2P
_chemical_formula_sum   'Ba2 Sn4 P2'
_cell_volume   233.84
_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  0.26  1.0
  Sn  Sn1  4  0.13  0.13  0.39  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Ba Sn Sn P