data_[Be2Nb1P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2522]
_cell_length_b [3.6257]
_cell_length_c [20.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Be2NbP3]
_chemical_formula_sum '[Be2 Nb1 P3]'
_cell_volume [236.3390]
_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  0.4541  0.5000  0.3817  1
  Be  Be1  1  0.6450  0.5000  0.5900  1
  Nb  Nb2  1  0.1487  0.0000  0.5269  1
  P  P3  1  0.1131  0.0000  0.3861  1
  P  P4  1  0.6522  0.0000  0.6333  1
  P  P5  1  0.6628  0.5000  0.4820  1
]