data_[La1As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4467]
_cell_length_b [4.0890]
_cell_length_c [5.7952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaAs3]
_chemical_formula_sum '[La1 As3]'
_cell_volume [100.7469]
_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  0.0000  0.5000  0.5000  1
  As  As1  2  0.3573  0.0000  0.2774  1
  As  As2  1  0.5000  0.5000  0.0000  1
]