data_LaCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.37
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoRe2
_chemical_formula_sum   'La1 Co1 Re2'
_cell_volume   70.5
_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
  La  La1  1  0.0  0.0  0.76  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.39  0.69  0.21  1.0
  Re  Re3  1  0.39  0.69  0.31  1.0

data_LaCoRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.37
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCoRe2
_chemical_formula_sum   'La1 Co1 Re2'
_cell_volume   70.5
_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
  La  La0  1  0.0  0.0  0.76  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.39  0.69  0.21  1.0
  Re  Re3  1  0.39  0.69  0.31  1.0

La Co Re Re
La Co Re Re 0 1 o o + 2 3 o o o 