data_[Ca1Ho2Mo1O6]
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 [P1]
_cell_length_a [5.6622]
_cell_length_b [5.6715]
_cell_length_c [5.9523]
_cell_angle_alpha [117.7468]
_cell_angle_beta [90.2813]
_cell_angle_gamma [119.5365]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaHo2MoO6]
_chemical_formula_sum '[Ca1 Ho2 Mo1 O6]'
_cell_volume [140.1961]
_cell_formula_units_Z [1]
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  1  0.8074  0.6127  0.4145  1
  Ho  Ho1  1  0.0195  0.0462  0.0619  1
  Ho  Ho2  1  0.5312  0.0568  0.5819  1
  Mo  Mo3  1  0.3234  0.6402  0.9571  1
  O  O4  1  0.1336  0.8236  0.2277  1
  O  O5  1  0.2194  0.8082  0.7583  1
  O  O6  1  0.4022  0.5421  0.2346  1
  O  O7  1  0.5866  0.5349  0.7586  1
  O  O8  1  0.6986  0.1063  0.2393  1
  O  O9  1  0.9396  0.1524  0.7508  1
]