data_[Li1Sm1Bi2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8159]
_cell_length_b [3.9011]
_cell_length_c [7.7373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiSm(BiS2)2]
_chemical_formula_sum '[Li1 Sm1 Bi2 S4]'
_cell_volume [193.7929]
_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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Bi  Bi2  1  0.0000  0.0000  0.5000  1
  Bi  Bi3  1  0.5000  0.5000  0.5000  1
  S  S4  2  0.1104  0.5000  0.7890  1
  S  S5  2  0.4153  0.0000  0.2201  1
]