data_[Mn8Ga6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1996]
_cell_length_b [4.1996]
_cell_length_c [15.9431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mn4Ga3Cu2]
_chemical_formula_sum '[Mn8 Ga6 Cu4]'
_cell_volume [243.5175]
_cell_formula_units_Z [2]
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
[
  Mn  Mn0  2  0.3333  0.6667  0.2522  1.0
  Mn  Mn1  2  0.3333  0.6667  0.5860  1.0
  Mn  Mn2  2  0.3333  0.6667  0.9172  1.0
  Mn  Mn3  2  0.6667  0.3333  0.3331  1.0
  Ga  Ga4  2  0.0000  0.0000  0.3330  1.0
  Ga  Ga5  2  0.6667  0.3333  0.8324  1.0
  Ga  Ga6  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga7  1  0.6667  0.3333  0.5000  1.0
  Cu  Cu8  2  0.0000  0.0000  0.1681  1.0
  Cu  Cu9  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu10  1  0.6667  0.3333  0.0000  1.0
]