data_[Mg4Ni2Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4091]
_cell_length_b [3.3060]
_cell_length_c [9.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg4Ni2Sn5]
_chemical_formula_sum '[Mg4 Ni2 Sn5]'
_cell_volume [230.3042]
_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  0.1922  0.5000  0.4365  1.0
  Mg  Mg1  2  0.1968  0.5000  0.8438  1.0
  Ni  Ni2  2  0.0769  0.0000  0.6368  1.0
  Sn  Sn3  2  0.1420  0.0000  0.1466  1.0
  Sn  Sn4  2  0.4433  0.0000  0.6560  1.0
  Sn  Sn5  1  0.5000  0.0000  0.0000  1.0
]