data_[La1Bi2As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2515]
_cell_length_b [4.3335]
_cell_length_c [21.1405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.3780]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaBi2As3]
_chemical_formula_sum '[La1 Bi2 As3]'
_cell_volume [389.4815]
_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  0.2198  0.4396  0.5136  1
  Bi  Bi1  1  0.7217  0.3367  0.6508  1
  Bi  Bi2  1  0.9910  0.1377  0.3604  1
  As  As3  1  0.2207  0.9358  0.6181  1
  As  As4  1  0.4889  0.7084  0.3773  1
  As  As5  1  0.7145  0.9388  0.4798  1
]