data_LaCoRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.75
_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   67.34
_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  0.38  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.39  0.39  0.06  1.0
  Re  Re3  1  0.39  0.39  0.69  1.0

data_LaCoRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCoRe2
_chemical_formula_sum   'La2 Co2 Re4'
_cell_volume   134.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.38  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.39  0.0  0.06  1.0
  Re  Re3  2  0.39  0.0  0.69  1.0

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