data_[Ca4Ga6Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1965]
_cell_length_b [4.5275]
_cell_length_c [7.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2Ga3Sn]
_chemical_formula_sum '[Ca4 Ga6 Sn2]'
_cell_volume [281.2685]
_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  0.0615  0.5000  0.8127  1
  Ca  Ca1  2  0.4434  0.0000  0.1920  1
  Ga  Ga2  2  0.1428  0.0000  0.2012  1
  Ga  Ga3  2  0.1742  0.0000  0.6039  1
  Ga  Ga4  2  0.3376  0.5000  0.7919  1
  Sn  Sn5  2  0.3406  0.5000  0.3983  1
]