data_[Er8Ga4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2170]
_cell_length_b [22.1080]
_cell_length_c [3.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er2GaSe]
_chemical_formula_sum '[Er8 Ga4 Se4]'
_cell_volume [372.8393]
_cell_formula_units_Z [4]
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  4  0.0000  0.0656  0.2500  1.0
  Er  Er1  4  0.0000  0.3229  0.2500  1.0
  Ga  Ga2  4  0.0000  0.4598  0.2500  1.0
  Se  Se3  4  0.0000  0.1932  0.2500  1.0
]