data_[Ca2Sm2Ho2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3444]
_cell_length_b [3.6661]
_cell_length_c [9.2451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaSmHo]
_chemical_formula_sum '[Ca2 Sm2 Ho2]'
_cell_volume [209.2508]
_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  0.2519  0.2500  0.5023  1
  Sm  Sm1  2  0.0308  0.2500  0.8462  1
  Ho  Ho2  2  0.4676  0.2500  0.1514  1
]