data_[Be2Cu2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6460]
_cell_length_b [4.1203]
_cell_length_c [6.3116]
_cell_angle_alpha [108.2467]
_cell_angle_beta [91.3735]
_cell_angle_gamma [114.1376]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeCuP]
_chemical_formula_sum '[Be2 Cu2 P2]'
_cell_volume [80.9019]
_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
[
  Be  Be0  1  0.2795  0.3306  0.4510  1.0
  Be  Be1  1  0.7851  0.4049  0.9482  1.0
  Cu  Cu2  1  0.5704  0.9551  0.1484  1.0
  Cu  Cu3  1  0.9004  0.8585  0.7607  1.0
  P  P4  1  0.2600  0.3385  0.1142  1.0
  P  P5  1  0.7359  0.2267  0.5855  1.0
]