data_LaSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   4.45
_cell_angle_alpha   91.43
_cell_angle_beta   91.43
_cell_angle_gamma   39.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbAs2
_chemical_formula_sum   'La1 Sb1 As2'
_cell_volume   107.07
_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  La2  1  0.45  0.0  0.76  1.0
  Sb  Sb3  1  0.84  0.0  0.4  1.0
  As  As0  1  0.21  0.0  0.54  1.0
  As  As1  1  0.73  0.0  0.97  1.0

data_LaSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.45
_cell_length_c   6.16
_cell_angle_alpha   91.43
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbAs2
_chemical_formula_sum   'La1 Sb1 As2'
_cell_volume   107.07
_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  0.76  0.45  1.0
  Sb  Sb1  1  0.0  0.4  0.84  1.0
  As  As2  1  0.0  0.54  0.21  1.0
  As  As3  1  0.0  0.97  0.73  1.0

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