data_LaCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   130.84
_cell_angle_beta   115.09
_cell_angle_gamma   85.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Se
_chemical_formula_sum   'La1 Co2 Se1'
_cell_volume   69.87
_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  La2  1  0.0  0.0  0.48  1.0
  Co  Co0  1  0.0  0.54  0.09  1.0
  Co  Co1  1  0.97  0.0  0.39  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_LaCo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   64.91
_cell_angle_beta   65.42
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Se
_chemical_formula_sum   'La1 Co2 Se1'
_cell_volume   69.87
_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  0.48  -0.0  0.52  1.0
  Co  Co1  1  0.09  0.0  0.45  1.0
  Co  Co2  1  0.42  0.97  0.61  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

La Co Co Se