data_[Sr4P2Br3]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4381]
_cell_length_b [4.4381]
_cell_length_c [18.6732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr4P2Br3]
_chemical_formula_sum '[Sr4 P2 Br3]'
_cell_volume [318.5247]
_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  0.0000  0.0000  0.3041  1
  Sr  Sr1  2  0.3333  0.6667  0.8818  1
  P  P2  2  0.3333  0.6667  0.2010  1
  Br  Br3  2  0.3333  0.6667  0.6077  1
  Br  Br4  1  0.0000  0.0000  0.0000  1
]