data_[Sr4P1S1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4878]
_cell_length_b [4.3530]
_cell_length_c [7.5235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4PSCl2]
_chemical_formula_sum '[Sr4 P1 S1 Cl2]'
_cell_volume [231.0082]
_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  2  0.2245  0.5000  0.2377  1.0
  Sr  Sr1  2  0.2249  0.0000  0.7457  1.0
  P  P2  1  0.0000  0.0000  0.0000  1.0
  S  S3  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.5000  0.0000  1.0
]