data_[Mg4In5Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6150]
_cell_length_b [3.2929]
_cell_length_c [9.3901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg4In5Cu2]
_chemical_formula_sum '[Mg4 In5 Cu2]'
_cell_volume [235.3145]
_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  0.1954  0.5000  0.8501  1.0
  Mg  Mg1  2  0.2111  0.5000  0.4336  1.0
  In  In2  2  0.1493  0.0000  0.1454  1.0
  In  In3  2  0.4527  0.0000  0.6653  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0736  0.0000  0.6289  1.0
]