data_[Ca1Tb2Ce1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8398]
_cell_length_b [4.5526]
_cell_length_c [7.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaTb2CeBi4]
_chemical_formula_sum '[Ca1 Tb2 Ce1 Bi4]'
_cell_volume [266.4168]
_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
[
  Ca  Ca0  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Tb  Tb2  1  0.5000  0.5000  0.0000  1.0
  Ce  Ce3  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  2  0.2448  0.5000  0.2451  1.0
  Bi  Bi5  2  0.2493  0.0000  0.7537  1.0
]