data_[Be3In3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5589]
_cell_length_b [5.5139]
_cell_length_c [22.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.4642]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeInP]
_chemical_formula_sum '[Be3 In3 P3]'
_cell_volume [438.4861]
_cell_formula_units_Z [3]
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
[
  Be  Be0  1  0.3904  0.1213  0.4855  1
  Be  Be1  1  0.3915  0.5648  0.4857  1
  Be  Be2  1  0.8949  0.8388  0.5117  1
  In  In3  1  0.3389  0.6201  0.6770  1
  In  In4  1  0.3889  0.3406  0.3483  1
  In  In5  1  0.8536  0.3313  0.5728  1
  P  P6  1  0.3944  0.8432  0.5621  1
  P  P7  1  0.8909  0.0460  0.4287  1
  P  P8  1  0.8920  0.6368  0.4282  1
]