data_[Sr6Ca2Bi4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3756]
_cell_length_b [5.6054]
_cell_length_c [17.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3CaBi2P]
_chemical_formula_sum '[Sr6 Ca2 Bi4 P2]'
_cell_volume [526.4304]
_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  0.0000  0.0000  0.1719  1.0
  Sr  Sr1  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.0000  0.3667  1.0
  P  P4  2  0.0000  0.0000  0.0000  1.0
]