data_LaCrP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   128.5
_cell_angle_beta   94.08
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrP3
_chemical_formula_sum   'La2 Cr2 P6'
_cell_volume   184.47
_cell_formula_units_Z   2
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  0.79  0.19  0.24  1.0
  La  La3  1  0.0  0.19  0.54  1.0
  Cr  Cr0  1  0.0  0.37  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  P  P4  1  0.0  0.19  0.72  1.0
  P  P5  1  0.79  0.19  0.06  1.0
  P  P6  1  0.61  0.96  0.89  1.0
  P  P7  1  0.39  0.42  0.89  1.0
  P  P8  1  0.39  0.79  0.11  1.0
  P  P9  1  0.39  0.96  0.89  1.0

data_LaCrP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   72.17
_cell_angle_beta   64.25
_cell_angle_gamma   64.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrP3
_chemical_formula_sum   'La2 Cr2 P6'
_cell_volume   184.47
_cell_formula_units_Z   2
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  0.6  0.21  0.95  1.0
  La  La1  1  0.81  -0.0  0.65  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.63  -0.0  0.37  1.0
  P  P4  1  0.44  0.61  0.07  1.0
  P  P5  1  0.6  0.21  0.13  1.0
  P  P6  1  0.6  0.61  0.68  1.0
  P  P7  1  0.65  0.39  0.07  1.0
  P  P8  1  0.81  -0.0  0.47  1.0
  P  P9  1  0.98  0.61  0.53  1.0

La La Cr Cr P P P P P P