data_[Sr12Sb4P2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6761]
_cell_length_b [8.6189]
_cell_length_c [13.5380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Sb2PSe]
_chemical_formula_sum '[Sr12 Sb4 P2 Se2]'
_cell_volume [740.0982]
_cell_formula_units_Z [2]
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  4  0.1113  0.5502  0.2450  1.0
  Sr  Sr1  4  0.2388  0.1964  0.0647  1.0
  Sr  Sr2  4  0.3807  0.6822  0.0649  1.0
  Sb  Sb3  4  0.2881  0.5948  0.7480  1.0
  P  P4  2  0.0000  0.0000  0.5000  1.0
  Se  Se5  2  0.5000  0.0000  0.0000  1.0
]