data_[Er2B2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2736]
_cell_length_b [5.6096]
_cell_length_c [5.4010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErBPt3]
_chemical_formula_sum '[Er2 B2 Pt6]'
_cell_volume [158.9199]
_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  0.3606  0.7500  0.3047  1.0
  B  B1  2  0.1279  0.2500  0.4617  1.0
  Pt  Pt2  4  0.1391  0.5055  0.7600  1.0
  Pt  Pt3  2  0.3714  0.2500  0.1805  1.0
]