data_[Be4Cu4As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4706]
_cell_length_b [3.7632]
_cell_length_c [6.6278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCuAs]
_chemical_formula_sum '[Be4 Cu4 As4]'
_cell_volume [186.3022]
_cell_formula_units_Z [4]
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  2  0.0668  0.0000  0.1490  1.0
  Be  Be1  2  0.4770  0.0000  0.6381  1.0
  Cu  Cu2  2  0.1972  0.0000  0.4601  1.0
  Cu  Cu3  2  0.2761  0.5000  0.7189  1.0
  As  As4  2  0.0821  0.0000  0.8164  1.0
  As  As5  2  0.4852  0.0000  0.2941  1.0
]