data_[Ca2Sm10Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9282]
_cell_length_b [13.7163]
_cell_length_c [7.9233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSm5Bi6]
_chemical_formula_sum '[Ca2 Sm10 Bi12]'
_cell_volume [811.8091]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1658  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3328  0.0000  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  8  0.2481  0.3320  0.7489  1.0
  Bi  Bi5  4  0.2477  0.5000  0.2510  1.0
]