data_[Sr8Ca4Ga12]
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 [Cmcm]
_cell_length_a [15.7898]
_cell_length_b [9.1381]
_cell_length_c [5.2922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr2CaGa3]
_chemical_formula_sum '[Sr8 Ca4 Ga12]'
_cell_volume [763.6091]
_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  8  0.1673  0.3337  0.7500  1
  Ca  Ca1  4  0.0000  0.1671  0.2500  1
  Ga  Ga2  8  0.1600  0.0000  0.0000  1
  Ga  Ga3  4  0.0000  0.5000  0.0000  1
]