data_[Be2Cu2Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8868]
_cell_length_b [4.0063]
_cell_length_c [8.1933]
_cell_angle_alpha [80.0686]
_cell_angle_beta [84.9992]
_cell_angle_gamma [75.4329]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BeCuTe]
_chemical_formula_sum '[Be2 Cu2 Te2]'
_cell_volume [121.5019]
_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  2  0.1337  0.4320  0.3800  1
  Cu  Cu1  2  0.2094  0.9964  0.6048  1
  Te  Te2  2  0.3835  0.3919  0.7939  1
]