data_[La1Sb1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4218]
_cell_length_b [4.2567]
_cell_length_c [6.2284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaSbAs2]
_chemical_formula_sum '[La1 Sb1 As2]'
_cell_volume [116.4067]
_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  0.0526  0.0000  0.5951  1.0
  Sb  Sb1  1  0.4075  0.5000  0.1789  1.0
  As  As2  1  0.0003  0.0000  0.1073  1.0
  As  As3  1  0.5397  0.5000  0.6187  1.0
]