data_[Ca6Mg4In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4012]
_cell_length_b [5.1095]
_cell_length_c [9.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(MgIn2)2]
_chemical_formula_sum '[Ca6 Mg4 In8]'
_cell_volume [490.9460]
_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  0.1589  0.5000  0.6702  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1338  0.5000  0.3051  1.0
  In  In3  4  0.0501  0.0000  0.3795  1.0
  In  In4  4  0.2432  0.5000  0.0799  1.0
]