data_[Ca4Tm2Mg4In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.7661]
_cell_length_b [10.7661]
_cell_length_c [4.5217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2TmMg2In5]
_chemical_formula_sum '[Ca4 Tm2 Mg4 In10]'
_cell_volume [524.1034]
_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  4  0.1735  0.3265  0.0000  1
  Tm  Tm1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1233  0.6233  0.0000  1
  In  In3  8  0.0695  0.7967  0.5000  1
  In  In4  2  0.0000  0.5000  0.5000  1
]