data_[Sr4Ca16Ga4]
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/c]
_cell_length_a [17.9179]
_cell_length_b [7.1080]
_cell_length_c [8.1505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrCa4Ga]
_chemical_formula_sum '[Sr4 Ca16 Ga4]'
_cell_volume [999.8867]
_cell_formula_units_Z [4]
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  0.0000  0.0667  0.7500  1
  Ca  Ca1  8  0.0962  0.4278  0.4522  1
  Ca  Ca2  8  0.2019  0.0976  0.1494  1
  Ga  Ga3  4  0.2500  0.2500  0.5000  1
]