data_[Zr1Co1Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8742]
_cell_length_b [4.3090]
_cell_length_c [5.1386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrCoRe2]
_chemical_formula_sum '[Zr1 Co1 Re2]'
_cell_volume [62.5450]
_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  0.5147  0.0000  0.5444  1
  Co  Co1  1  0.0805  0.5000  0.7302  1
  Re  Re2  1  0.1262  0.0000  0.0309  1
  Re  Re3  1  0.7787  0.5000  0.1944  1
]