data_[Li4Ca4Tb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6949]
_cell_length_b [17.7998]
_cell_length_c [5.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiCaTb]
_chemical_formula_sum '[Li4 Ca4 Tb4]'
_cell_volume [368.9341]
_cell_formula_units_Z [4]
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  4  0.0000  0.4263  0.2500  1.0
  Ca  Ca1  4  0.0000  0.0901  0.2500  1.0
  Tb  Tb2  4  0.0000  0.2265  0.7500  1.0
]