data_[Ca2Nd4Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6713]
_cell_length_b [5.9577]
_cell_length_c [10.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaNd2MoO6]
_chemical_formula_sum '[Ca2 Nd4 Mo2 O12]'
_cell_volume [282.7445]
_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  2  0.5000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.2688  0.5591  0.7533  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1087  0.5623  0.2375  1.0
  O  O4  4  0.2451  0.2112  0.0724  1.0
  O  O5  4  0.3536  0.6790  0.0593  1.0
]