data_LaSiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSiP
_chemical_formula_sum   'La2 Si2 P2'
_cell_volume   130.62
_cell_formula_units_Z   2
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  La0  1  0.25  0.0  0.36  1.0
  La  La1  1  0.0  0.25  0.07  1.0
  Si  Si4  1  0.25  0.0  0.08  1.0
  Si  Si5  1  0.0  0.25  0.35  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.25  0.25  0.0  1.0

data_LaSiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSiP
_chemical_formula_sum   'La4 Si4 P4'
_cell_volume   261.25
_cell_formula_units_Z   4
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  0.07  1.0
  La  La1  2  0.25  0.0  0.36  1.0
  Si  Si2  2  -0.0  0.0  0.35  1.0
  Si  Si3  2  0.25  0.0  0.08  1.0
  P  P4  4  0.13  0.13  0.0  1.0

La La Si Si P P
La La Si Si P P 0 3 o o o 0 2 o o o 1 4 o o o 1 5 o o o 1 3 o o o 2 4 o o o 2 5 o o o 