data_[Er2V2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.6264]
_cell_length_b [5.6863]
_cell_length_c [4.6115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErVCl2]
_chemical_formula_sum '[Er2 V2 Cl4]'
_cell_volume [173.7601]
_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  2  0.2500  0.0000  0.5036  1
  V  V1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.2500  0.5000  0.8702  1
]