data_[Be4Cu6Te8]
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 [Cm]
_cell_length_a [15.1295]
_cell_length_b [3.8628]
_cell_length_c [19.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2Cu3Te4]
_chemical_formula_sum '[Be4 Cu6 Te8]'
_cell_volume [1129.3026]
_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  0.0969  0.5000  0.5097  1
  Be  Be1  2  0.3988  0.5000  0.4374  1
  Cu  Cu2  2  0.2018  0.0000  0.4912  1
  Cu  Cu3  2  0.3598  0.0000  0.5283  1
  Cu  Cu4  2  0.4903  0.5000  0.5326  1
  Te  Te5  2  0.0652  0.0000  0.4159  1
  Te  Te6  2  0.2415  0.5000  0.5781  1
  Te  Te7  2  0.3284  0.0000  0.3915  1
  Te  Te8  2  0.4919  0.0000  0.6153  1
]