data_[Cd5In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0153]
_cell_length_b [15.0000]
_cell_length_c [14.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd5In4]
_chemical_formula_sum '[Cd5 In4]'
_cell_volume [1072.4357]
_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
[
  Cd  Cd0  1  0.0146  0.5000  0.9394  1
  Cd  Cd1  1  0.1191  0.5000  0.1583  1
  Cd  Cd2  1  0.4571  0.5000  0.8302  1
  Cd  Cd3  1  0.6744  0.5000  0.2658  1
  Cd  Cd4  1  0.7857  0.5000  0.4887  1
  In  In5  1  0.2264  0.5000  0.3763  1
  In  In6  1  0.3473  0.5000  0.6029  1
  In  In7  1  0.5679  0.5000  0.0488  1
  In  In8  1  0.9028  0.5000  0.7182  1
]