data_[Er2Be2Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3384]
_cell_length_b [5.7095]
_cell_length_c [5.9110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErBePt3]
_chemical_formula_sum '[Er2 Be2 Pt6]'
_cell_volume [163.0492]
_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  0.0221  0.2500  0.2984  1.0
  Be  Be1  2  0.3421  0.7500  0.4558  1.0
  Pt  Pt2  4  0.4809  0.5055  0.2267  1.0
  Pt  Pt3  2  0.0858  0.2500  0.8266  1.0
]