data_[Ca1V1Pt1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1727]
_cell_length_b [5.1727]
_cell_length_c [5.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CaVPtO6]
_chemical_formula_sum '[Ca1 V1 Pt1 O6]'
_cell_volume [116.1486]
_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
[
  Ca  Ca0  1  0.6667  0.3333  0.0000  1
  V  V1  1  0.0000  0.0000  0.5000  1
  Pt  Pt2  1  0.3333  0.6667  0.5000  1
  O  O3  6  0.0286  0.3196  0.7112  1
]