data_BaLaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.03
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   93.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaAs2
_chemical_formula_sum   'Ba1 La1 As2'
_cell_volume   115.54
_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
  Ba  Ba2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.77  0.0  0.09  1.0
  As  As0  1  0.32  0.02  0.96  1.0
  As  As1  1  0.73  0.02  0.21  1.0

data_BaLaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.03
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   93.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaAs2
_chemical_formula_sum   'Ba1 La1 As2'
_cell_volume   115.54
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.77  0.0  0.09  1.0
  As  As2  1  0.32  0.02  0.96  1.0
  As  As3  1  0.73  0.02  0.21  1.0

Ba La As As