data_LaAlP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   145.58
_cell_angle_beta   145.58
_cell_angle_gamma   49.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlP
_chemical_formula_sum   'La1 Al1 P1'
_cell_volume   64.37
_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
  La  La1  1  0.0  0.0  0.51  1.0
  Al  Al0  1  0.0  0.0  0.45  1.0
  P  P2  1  0.0  0.0  0.7  1.0

data_LaAlP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   114.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAlP
_chemical_formula_sum   'La2 Al2 P2'
_cell_volume   128.74
_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
  La  La0  2  0.0  0.0  0.49  1.0
  Al  Al1  2  0.0  0.0  0.55  1.0
  P  P2  2  0.0  0.0  0.3  1.0

La Al P
La Al P 0 1 o o o 0 2 o o o 