data_La2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InP
_chemical_formula_sum   'La2 In1 P1'
_cell_volume   108.5
_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  0.7  0.94  0.93  1.0
  La  La2  1  0.7  0.06  0.93  1.0
  In  In0  1  0.41  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_La2InP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   100.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InP
_chemical_formula_sum   'La2 In1 P1'
_cell_volume   108.5
_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  La0  1  0.93  0.7  0.06  1.0
  La  La1  1  0.93  0.7  0.94  1.0
  In  In2  1  0.0  0.41  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La La In P
La La In P 0 1 o + o 0 2 o + + 0 3 + + + 1 2 o o + 1 3 + o + 