data_[Ca2Ho2Mo4O12]
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 [Pc]
_cell_length_a [5.4840]
_cell_length_b [5.7696]
_cell_length_c [9.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaHo(MoO3)2]
_chemical_formula_sum '[Ca2 Ho2 Mo4 O12]'
_cell_volume [254.6523]
_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  0.2644  0.3037  0.7522  1.0
  Ho  Ho1  2  0.7255  0.1866  0.2489  1.0
  Mo  Mo2  2  0.4986  0.2530  0.5004  1.0
  Mo  Mo3  2  0.9989  0.2519  0.9996  1.0
  O  O4  2  0.1174  0.3033  0.2533  1.0
  O  O5  2  0.2780  0.0473  0.5672  1.0
  O  O6  2  0.3861  0.4432  0.0619  1.0
  O  O7  2  0.6286  0.0382  0.9343  1.0
  O  O8  2  0.7381  0.4370  0.4318  1.0
  O  O9  2  0.8613  0.1857  0.7465  1.0
]