data_[Zr1Mn6Ga1Sn5]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.3520]
_cell_length_b [5.3520]
_cell_length_c [8.9059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [ZrMn6GaSn5]
_chemical_formula_sum '[Zr1 Mn6 Ga1 Sn5]'
_cell_volume [220.9274]
_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
[
  Zr  Zr0  1  0.3333  0.6667  0.5000  1.0
  Mn  Mn1  6  0.3272  0.1636  0.2577  1.0
  Ga  Ga2  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.3333  0.6667  0.1727  1.0
  Sn  Sn4  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn5  1  0.6667  0.3333  0.0000  1.0
  Sn  Sn6  1  0.6667  0.3333  0.5000  1.0
]