data_[Er4Ga6Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9771]
_cell_length_b [4.0391]
_cell_length_c [6.7549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Ga3Ni2]
_chemical_formula_sum '[Er4 Ga6 Ni4]'
_cell_volume [244.7011]
_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
[
  Er  Er0  4  0.1447  0.0000  0.7793  1
  Ga  Ga1  4  0.1329  0.5000  0.4441  1
  Ga  Ga2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  4  0.1346  0.0000  0.2080  1
]