data_[Ca2Dy2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8544]
_cell_length_b [3.7434]
_cell_length_c [7.0014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaDyPt]
_chemical_formula_sum '[Ca2 Dy2 Pt2]'
_cell_volume [173.9030]
_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
[
  Ca  Ca0  1  0.0453  0.0000  0.6098  1
  Ca  Ca1  1  0.1047  0.5000  0.1153  1
  Dy  Dy2  1  0.5360  0.0000  0.4789  1
  Dy  Dy3  1  0.6094  0.0000  0.9991  1
  Pt  Pt4  1  0.7608  0.5000  0.3118  1
  Pt  Pt5  1  0.7614  0.5000  0.7579  1
]