data_[Mg2In2Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5386]
_cell_length_b [5.4584]
_cell_length_c [6.1051]
_cell_angle_alpha [77.5232]
_cell_angle_beta [70.0553]
_cell_angle_gamma [66.4798]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg2In2Bi]
_chemical_formula_sum '[Mg2 In2 Bi1]'
_cell_volume [129.8016]
_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  0.4045  0.9003  0.7908  1
  In  In1  2  0.1990  0.7059  0.4025  1
  Bi  Bi2  1  0.0000  0.5000  0.0000  1
]