data_[Ca10Mg4In2]
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 [Pbam]
_cell_length_a [7.0675]
_cell_length_b [13.6899]
_cell_length_c [5.4823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ca5Mg2In]
_chemical_formula_sum '[Ca10 Mg4 In2]'
_cell_volume [530.4311]
_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  0.1200  0.2715  0.0000  1
  Ca  Ca1  4  0.1645  0.6059  0.5000  1
  Ca  Ca2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  4  0.1491  0.8665  0.5000  1
  In  In4  2  0.0000  0.5000  0.0000  1
]