data_[Ca2Mg4Tl4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0989]
_cell_length_b [5.0448]
_cell_length_c [8.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMg2(TlIn)2]
_chemical_formula_sum '[Ca2 Mg4 Tl4 In4]'
_cell_volume [370.2181]
_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  1.0
  Mg  Mg1  4  0.0770  0.5000  0.7130  1.0
  Tl  Tl2  4  0.2199  0.5000  0.1700  1.0
  In  In3  4  0.1343  0.0000  0.4182  1.0
]