data_[Be3Ga1P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6261]
_cell_length_b [5.1849]
_cell_length_c [19.4188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.8409]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Be3GaP3]
_chemical_formula_sum '[Be3 Ga1 P3]'
_cell_volume [363.7962]
_cell_formula_units_Z [1]
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  0.1545  0.9277  0.4506  1
  Be  Be1  1  0.6254  0.7232  0.4919  1
  Be  Be2  1  0.7558  0.2544  0.4629  1
  Ga  Ga3  1  0.5589  0.0801  0.6239  1
  P  P4  1  0.1267  0.7332  0.5558  1
  P  P5  1  0.2662  0.3461  0.5185  1
  P  P6  1  0.6570  0.9346  0.3964  1
]