data_[Li4Er4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.3082]
_cell_length_b [6.7121]
_cell_length_c [9.0787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiErMoO4]
_chemical_formula_sum '[Li4 Er4 Mo4 O16]'
_cell_volume [384.4037]
_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
[
  Li  Li0  4  0.0000  0.2500  0.6026  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.2500  0.2500  0.2500  1
  O  O3  8  0.0000  0.0376  0.2460  1
  O  O4  8  0.2354  0.2500  0.0238  1
]