data_[Ca2La4Ho4Mg10]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.7885]
_cell_length_b [10.7885]
_cell_length_c [5.0944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [CaLa2Ho2Mg5]
_chemical_formula_sum '[Ca2 La4 Ho4 Mg10]'
_cell_volume [592.9538]
_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  0.0000  0.0000  0.0000  1
  La  La1  4  0.1747  0.3253  0.0000  1
  Ho  Ho2  4  0.1195  0.6195  0.0000  1
  Mg  Mg3  8  0.0707  0.7980  0.5000  1
  Mg  Mg4  2  0.0000  0.5000  0.5000  1
]