data_[Ca1Tb1In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.6470]
_cell_length_b [4.9833]
_cell_length_c [8.6904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaTbIn4]
_chemical_formula_sum '[Ca1 Tb1 In4]'
_cell_volume [157.9427]
_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  0.0000  1
  Tb  Tb1  1  0.5000  0.5000  0.5000  1
  In  In2  2  0.0101  0.5000  0.1684  1
  In  In3  2  0.0150  0.0000  0.6645  1
]