data_[Cd2In2Mo4]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6796]
_cell_length_b [2.8516]
_cell_length_c [5.2945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdInMo2]
_chemical_formula_sum '[Cd2 In2 Mo4]'
_cell_volume [145.5557]
_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
[
  Cd  Cd0  2  0.4991  0.0000  0.5045  1
  In  In1  2  0.2517  0.0000  0.7444  1
  Mo  Mo2  2  0.2535  0.5000  0.2291  1
  Mo  Mo3  2  0.4956  0.5000  0.0219  1
]