data_[Ca1La1Ho2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6862]
_cell_length_b [3.6862]
_cell_length_c [10.2587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaLaHo2]
_chemical_formula_sum '[Ca1 La1 Ho2]'
_cell_volume [139.3965]
_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  0.5000  0.5000  0.5000  1.0
  La  La1  1  0.5000  0.5000  0.0000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.2365  1.0
]