data_[Ca4Ho2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  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 [5.6203]
_cell_length_b [5.8120]
_cell_length_c [9.8784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2HoMoO6]
_chemical_formula_sum '[Ca4 Ho2 Mo2 O12]'
_cell_volume [265.8451]
_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  0.2657  0.5528  0.7548  1.0
  Ho  Ho1  2  0.5000  0.0000  0.0000  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1288  0.5473  0.2378  1.0
  O  O4  4  0.2318  0.2178  0.0594  1.0
  O  O5  4  0.3507  0.6854  0.0557  1.0
]