data_[Sr3P1Br3]
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 [Pm]
_cell_length_a [5.1934]
_cell_length_b [10.5745]
_cell_length_c [18.3690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sr3PBr3]
_chemical_formula_sum '[Sr3 P1 Br3]'
_cell_volume [1008.7792]
_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  0.3777  0.2692  0.5248  1
  Sr  Sr1  1  0.8778  0.0000  0.4431  1
  P  P2  1  0.3779  0.0000  0.5136  1
  Br  Br3  2  0.8780  0.2976  0.4368  1
  Br  Br4  1  0.3926  0.5000  0.6202  1
]