data_[Ca4Zn6Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6396]
_cell_length_b [4.5507]
_cell_length_c [7.3782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.3536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2Zn3Ga]
_chemical_formula_sum '[Ca4 Zn6 Ga2]'
_cell_volume [259.7560]
_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
[
  Ca  Ca0  2  0.0435  0.5000  0.7949  1.0
  Ca  Ca1  2  0.4557  0.0000  0.2053  1.0
  Zn  Zn2  2  0.1644  0.0000  0.6126  1.0
  Zn  Zn3  2  0.1655  0.0000  0.2179  1.0
  Zn  Zn4  2  0.3353  0.5000  0.7782  1.0
  Ga  Ga5  2  0.3356  0.5000  0.3910  1.0
]