data_[Ca4In2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8067]
_cell_length_b [5.7565]
_cell_length_c [5.6657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2InMoO6]
_chemical_formula_sum '[Ca4 In2 Mo2 O12]'
_cell_volume [261.3081]
_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
[
  Ca  Ca0  4  0.2497  0.5000  0.2183  1.0
  In  In1  2  0.0000  0.5000  0.5000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0665  0.2434  0.8231  1.0
  O  O4  4  0.2289  0.0000  0.3438  1.0
]