data_[Sr6In4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.9481]
_cell_length_b [16.3822]
_cell_length_c [4.3335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Sr3(InP2)2]
_chemical_formula_sum '[Sr6 In4 P8]'
_cell_volume [493.2596]
_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  0.2079  0.3015  0.5000  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1325  0.5852  0.0000  1.0
  P  P3  4  0.2398  0.4318  0.0000  1.0
  P  P4  4  0.2475  0.1662  0.0000  1.0
]