data_[Sr6P8]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8710]
_cell_length_b [7.7631]
_cell_length_c [9.2153]
_cell_angle_alpha [83.0816]
_cell_angle_beta [71.4248]
_cell_angle_gamma [67.7815]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr3P4]
_chemical_formula_sum '[Sr6 P8]'
_cell_volume [368.5679]
_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  1  0.0104  0.4981  0.4945  1.0
  Sr  Sr1  1  0.2495  0.0019  0.9970  1.0
  Sr  Sr2  1  0.3197  0.5022  0.8358  1.0
  Sr  Sr3  1  0.5811  0.9906  0.3344  1.0
  Sr  Sr4  1  0.6730  0.4920  0.1595  1.0
  Sr  Sr5  1  0.9091  0.0034  0.6598  1.0
  P  P6  1  0.1843  0.8110  0.3478  1.0
  P  P7  1  0.2704  0.3197  0.1590  1.0
  P  P8  1  0.3330  0.1818  0.6563  1.0
  P  P9  1  0.4170  0.6682  0.4979  1.0
  P  P10  1  0.5757  0.3449  0.5014  1.0
  P  P11  1  0.6731  0.1550  0.0040  1.0
  P  P12  1  0.7372  0.6814  0.8486  1.0
  P  P13  1  0.8299  0.8395  0.9938  1.0
]