data_[Ca2Ho1Os1O8]
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
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8878]
_cell_length_b [6.6659]
_cell_length_c [5.2115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2HoOsO8]
_chemical_formula_sum '[Ca2 Ho1 Os1 O8]'
_cell_volume [169.7909]
_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  2  0.5000  0.2438  0.5000  1
  Ho  Ho1  1  0.0000  0.5000  0.0000  1
  Os  Os2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.2172  0.2078  0.8621  1
  O  O4  2  0.2186  0.0000  0.2923  1
  O  O5  2  0.2270  0.5000  0.3666  1
]