data_[Ca2Tm2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7823]
_cell_length_b [3.7225]
_cell_length_c [6.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaTmPt]
_chemical_formula_sum '[Ca2 Tm2 Pt2]'
_cell_volume [169.5436]
_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  0.0478  0.0000  0.6105  1
  Ca  Ca1  1  0.1086  0.5000  0.1165  1
  Tm  Tm2  1  0.5370  0.0000  0.4789  1
  Tm  Tm3  1  0.6088  0.0000  0.9987  1
  Pt  Pt4  1  0.7572  0.5000  0.3097  1
  Pt  Pt5  1  0.7582  0.5000  0.7584  1
]