data_BaLaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   150.67
_cell_angle_beta   150.67
_cell_angle_gamma   41.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaP
_chemical_formula_sum   'Ba1 La1 P1'
_cell_volume   106.76
_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  0.54  1.0
  La  La1  1  0.0  0.0  0.92  1.0
  P  P2  1  0.0  0.0  0.81  1.0

data_BaLaP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   110.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLaP
_chemical_formula_sum   'Ba2 La2 P2'
_cell_volume   213.52
_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  0.46  1.0
  La  La1  2  0.0  0.0  0.08  1.0
  P  P2  2  0.0  0.0  0.19  1.0

Ba La P
Ba La P 0 2 o o o 1 2 o o o 