data_[Sr2Be1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1862]
_cell_length_b [4.6844]
_cell_length_c [7.1933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2BeGe3]
_chemical_formula_sum '[Sr2 Be1 Ge3]'
_cell_volume [141.0599]
_cell_formula_units_Z [1]
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
[
  Sr  Sr0  1  0.0000  0.0000  0.4940  1.0
  Sr  Sr1  1  0.5000  0.0000  0.0023  1.0
  Be  Be2  1  0.5000  0.5000  0.6757  1.0
  Ge  Ge3  1  0.0000  0.5000  0.1623  1.0
  Ge  Ge4  1  0.0000  0.5000  0.8067  1.0
  Ge  Ge5  1  0.5000  0.5000  0.3590  1.0
]