data_[La1Y2Sc1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7758]
_cell_length_b [4.5117]
_cell_length_c [7.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaY2ScBi4]
_chemical_formula_sum '[La1 Y2 Sc1 Bi4]'
_cell_volume [257.9336]
_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  0.5000  0.5000  0.0000  1.0
  Y  Y1  1  0.0000  0.5000  0.5000  1.0
  Y  Y2  1  0.5000  0.0000  0.5000  1.0
  Sc  Sc3  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  2  0.2361  0.5000  0.2444  1.0
  Bi  Bi5  2  0.2367  0.0000  0.7464  1.0
]