data_[Zr6Mn8Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3919]
_cell_length_b [4.1157]
_cell_length_c [7.8691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3(Mn2Ga)2]
_chemical_formula_sum '[Zr6 Mn8 Ga4]'
_cell_volume [294.3700]
_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
[
  Zr  Zr0  4  0.1113  0.5000  0.3699  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  4  0.0856  0.0000  0.6174  1
  Mn  Mn3  4  0.2492  0.5000  0.0738  1
  Ga  Ga4  4  0.2097  0.5000  0.7475  1
]