data_[Sr2Cu3Si1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1827]
_cell_length_b [4.4835]
_cell_length_c [7.2080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2Cu3Si]
_chemical_formula_sum '[Sr2 Cu3 Si1]'
_cell_volume [135.1757]
_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  0.5017  1.0
  Sr  Sr1  1  0.5000  0.0000  0.9961  1.0
  Cu  Cu2  1  0.0000  0.5000  0.1651  1.0
  Cu  Cu3  1  0.0000  0.5000  0.8182  1.0
  Cu  Cu4  1  0.5000  0.5000  0.3450  1.0
  Si  Si5  1  0.5000  0.5000  0.6739  1.0
]