data_LaZrMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   148.57
_cell_angle_beta   137.79
_cell_angle_gamma   53.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrMn2
_chemical_formula_sum   'La1 Zr1 Mn2'
_cell_volume   83.94
_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  0.24  0.09  1.0
  Zr  Zr3  1  0.0  0.0  0.62  1.0
  Mn  Mn1  1  0.0  0.0  0.59  1.0
  Mn  Mn2  1  0.69  0.0  0.81  1.0

data_LaZrMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.48
_cell_length_c   6.22
_cell_angle_alpha   111.11
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrMn2
_chemical_formula_sum   'La1 Zr1 Mn2'
_cell_volume   83.94
_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  0.76  0.85  0.85  1.0
  Zr  Zr1  1  0.0  0.62  0.62  1.0
  Mn  Mn2  1  0.0  0.59  0.59  1.0
  Mn  Mn3  1  0.0  0.81  0.13  1.0

La Zr Mn Mn