data_SrLaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   140.39
_cell_angle_beta   140.39
_cell_angle_gamma   57.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaAs2
_chemical_formula_sum   'Sr1 La1 As2'
_cell_volume   109.68
_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
  Sr  Sr3  1  0.0  0.0  0.69  1.0
  La  La2  1  0.2  0.0  0.84  1.0
  As  As0  1  0.0  0.2  0.84  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_SrLaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.48
_cell_angle_alpha   109.81
_cell_angle_beta   109.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaAs2
_chemical_formula_sum   'Sr1 La1 As2'
_cell_volume   109.68
_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
  Sr  Sr0  1  0.69  0.69  0.69  1.0
  La  La1  1  0.84  0.65  0.65  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.65  0.84  0.65  1.0

Sr La As As
Sr La As As 0 2 o o o 0 1 o o o 0 3 o o + 1 3 o o + 2 3 o o + 