data_[Er4Co2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7960]
_cell_length_b [4.5777]
_cell_length_c [7.1596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er2CoSn3]
_chemical_formula_sum '[Er4 Co2 Sn6]'
_cell_volume [275.9129]
_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  0.0809  0.5000  0.3191  1
  Er  Er1  2  0.4495  0.0000  0.7157  1
  Co  Co2  2  0.3196  0.5000  0.2727  1
  Sn  Sn3  2  0.1075  0.0000  0.6256  1
  Sn  Sn4  2  0.2024  0.0000  0.1389  1
  Sn  Sn5  2  0.3402  0.5000  0.9279  1
]