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 [P3m1]
_cell_length_a [3.7345]
_cell_length_b [3.7345]
_cell_length_c [6.4563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BeCuP]
_chemical_formula_sum '[Be2 Cu2 P2]'
_cell_volume [77.9792]
_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  0.0000  0.0000  0.3592  1.0
  Be  Be1  1  0.3333  0.6667  0.7576  1.0
  Cu  Cu2  1  0.3333  0.6667  0.1519  1.0
  Cu  Cu3  1  0.6667  0.3333  0.8909  1.0
  P  P4  1  0.0000  0.0000  0.6943  1.0
  P  P5  1  0.6667  0.3333  0.2526  1.0
]