data_[Mg4Ga5Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8484]
_cell_length_b [3.1737]
_cell_length_c [8.9692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg4Ga5Cu2]
_chemical_formula_sum '[Mg4 Ga5 Cu2]'
_cell_volume [194.2740]
_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  0.1702  0.5000  0.8812  1
  Mg  Mg1  2  0.2565  0.5000  0.4460  1
  Ga  Ga2  2  0.1846  0.0000  0.1650  1
  Ga  Ga3  2  0.4364  0.0000  0.6962  1
  Ga  Ga4  1  0.5000  0.0000  0.0000  1
  Cu  Cu5  2  0.0633  0.0000  0.6369  1
]