data_[Sr6Ca14Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8261]
_cell_length_b [5.1487]
_cell_length_c [12.0947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ca7Ga4]
_chemical_formula_sum '[Sr6 Ca14 Ga8]'
_cell_volume [956.0427]
_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
[
  Sr  Sr0  4  0.1916  0.5000  0.2067  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Ca  Ca2  4  0.0084  0.5000  0.7744  1
  Ca  Ca3  4  0.1696  0.0000  0.9174  1
  Ca  Ca4  4  0.1908  0.5000  0.5324  1
  Ca  Ca5  2  0.0000  0.0000  0.0000  1
  Ga  Ga6  4  0.1065  0.0000  0.3261  1
  Ga  Ga7  4  0.1736  0.5000  0.7724  1
]