data_[Na1Ca2Ho1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8304]
_cell_length_b [3.4170]
_cell_length_c [5.8387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCa2HoO4]
_chemical_formula_sum '[Na1 Ca2 Ho1 O4]'
_cell_volume [110.4711]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  1  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  1  0.5000  0.0000  0.5000  1.0
  Ho  Ho3  1  0.5000  0.5000  0.0000  1.0
  O  O4  2  0.2669  0.0000  0.7617  1.0
  O  O5  2  0.2717  0.5000  0.2555  1.0
]