data_[Mg2In5Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1848]
_cell_length_b [3.4900]
_cell_length_c [10.8590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg2In5Pb4]
_chemical_formula_sum '[Mg2 In5 Pb4]'
_cell_volume [309.2677]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  2  0.0621  0.0000  0.6398  1
  In  In1  2  0.1987  0.0000  0.1644  1
  In  In2  2  0.4377  0.0000  0.7031  1
  In  In3  1  0.5000  0.0000  0.0000  1
  Pb  Pb4  2  0.1585  0.5000  0.8889  1
  Pb  Pb5  2  0.2745  0.5000  0.4462  1
]