data_La2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   7.15
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2As
_chemical_formula_sum   'La4 As2'
_cell_volume   207.8
_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  La2  1  0.58  0.62  0.0  1.0
  La  La3  1  0.31  0.54  0.0  1.0
  La  La4  1  0.02  0.11  0.11  1.0
  La  La5  1  0.86  0.04  0.11  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.44  0.58  0.11  1.0

data_La2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   6.89
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2As
_chemical_formula_sum   'La4 As2'
_cell_volume   207.8
_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  -0.0  0.31  0.54  1.0
  La  La1  1  0.0  0.58  0.62  1.0
  La  La2  1  0.11  0.02  0.11  1.0
  La  La3  1  0.11  0.86  0.04  1.0
  As  As4  1  0.0  0.0  0.0  1.0
  As  As5  1  0.11  0.44  0.58  1.0

La La La La As As
La La La La As As 0 5 o o o 1 5 o o o 2 4 o o o 2 3 - o o 3 4 + o o 