data_La2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AsPt
_chemical_formula_sum   'La2 As1 Pt1'
_cell_volume   110.37
_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  0.84  0.0  0.84  1.0
  La  La2  1  0.0  0.0  0.95  1.0
  As  As0  1  0.0  0.0  0.75  1.0
  Pt  Pt3  1  0.84  0.0  0.95  1.0

data_La2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AsPt
_chemical_formula_sum   'La2 As1 Pt1'
_cell_volume   110.37
_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  La0  1  0.0  0.0  0.95  1.0
  La  La1  1  0.84  0.0  0.84  1.0
  As  As2  1  0.0  0.0  0.75  1.0
  Pt  Pt3  1  0.84  0.0  0.95  1.0

La La As Pt
La La As Pt 0 3 o o o 0 2 + o o 1 3 - o o 