data_[La6Bi2As2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8766]
_cell_length_b [4.5196]
_cell_length_c [9.9269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3BiAsCl]
_chemical_formula_sum '[La6 Bi2 As2 Cl2]'
_cell_volume [387.3266]
_cell_formula_units_Z [2]
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  2  0.1088  0.7500  0.8676  1
  La  La1  2  0.2697  0.2500  0.5174  1
  La  La2  2  0.4287  0.2500  0.1516  1
  Bi  Bi3  2  0.1857  0.7500  0.2300  1
  As  As4  2  0.3372  0.2500  0.8408  1
  Cl  Cl5  2  0.0968  0.7500  0.5810  1
]