data_[Be2Ga2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.3459]
_cell_length_b [5.6916]
_cell_length_c [5.8518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BeGaS]
_chemical_formula_sum '[Be2 Ga2 S2]'
_cell_volume [109.2199]
_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  0.2201  0.0049  0.4315  1
  Ga  Ga1  2  0.2187  0.6656  0.9772  1
  S  S2  2  0.2346  0.6504  0.4338  1
]