data_[Zr1Cr2Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8027]
_cell_length_b [4.0167]
_cell_length_c [5.5848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrCr2Pt]
_chemical_formula_sum '[Zr1 Cr2 Pt1]'
_cell_volume [61.3584]
_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
[
  Zr  Zr0  1  0.5448  0.5000  0.7568  1
  Cr  Cr1  1  0.1123  0.0000  0.0479  1
  Cr  Cr2  1  0.4127  0.5000  0.2164  1
  Pt  Pt3  1  0.9302  0.0000  0.4788  1
]