data_[Ti4Be4As6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.0323]
_cell_length_b [5.4778]
_cell_length_c [5.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ti2Be2As3P]
_chemical_formula_sum '[Ti4 Be4 As6 P2]'
_cell_volume [325.7284]
_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
[
  Ti  Ti0  4  0.1218  0.3666  0.8657  1
  Be  Be1  4  0.1204  0.8838  0.3795  1
  As  As2  4  0.2497  0.6259  0.7208  1
  As  As3  2  0.0000  0.6540  0.0000  1
  P  P4  2  0.0000  0.0934  0.5000  1
]