data_[Er2Ga3Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0205]
_cell_length_b [4.2036]
_cell_length_c [7.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er2Ga3Ge]
_chemical_formula_sum '[Er2 Ga3 Ge1]'
_cell_volume [122.4543]
_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
[
  Er  Er0  1  0.0000  0.0000  0.4968  1.0
  Er  Er1  1  0.0000  0.5000  0.0036  1.0
  Ga  Ga2  1  0.5000  0.0000  0.1620  1.0
  Ga  Ga3  1  0.5000  0.0000  0.8301  1.0
  Ga  Ga4  1  0.5000  0.5000  0.6712  1.0
  Ge  Ge5  1  0.5000  0.5000  0.3363  1.0
]