data_[Sr1Y1Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4085]
_cell_length_b [6.4936]
_cell_length_c [6.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SrYGa6]
_chemical_formula_sum '[Sr1 Y1 Ga6]'
_cell_volume [172.4829]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3754  1
  Y  Y1  1  0.5000  0.5000  0.6117  1
  Ga  Ga2  2  0.0000  0.2614  0.8496  1
  Ga  Ga3  2  0.5000  0.2819  0.1322  1
  Ga  Ga4  1  0.0000  0.5000  0.2550  1
  Ga  Ga5  1  0.5000  0.0000  0.7944  1
]