data_[Ba1Sr3P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4626]
_cell_length_b [6.0869]
_cell_length_c [8.8834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [BaSr3P]
_chemical_formula_sum '[Ba1 Sr3 P1]'
_cell_volume [241.3019]
_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
[
  Ba  Ba0  1  0.5000  0.5000  0.5000  1
  Sr  Sr1  2  0.0000  0.0000  0.2301  1
  Sr  Sr2  1  0.5000  0.5000  0.0000  1
  P  P3  1  0.5000  0.0000  0.0000  1
]