data_[Be1Te1Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1669]
_cell_length_b [4.0845]
_cell_length_c [4.2609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeTePt2]
_chemical_formula_sum '[Be1 Te1 Pt2]'
_cell_volume [72.1684]
_cell_formula_units_Z [1]
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
[
  Be  Be0  1  0.7441  0.5000  0.0336  1
  Te  Te1  1  0.5312  0.0000  0.5466  1
  Pt  Pt2  1  0.2452  0.5000  0.7920  1
  Pt  Pt3  1  0.9796  0.0000  0.1278  1
]