data_Ca2MnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   39.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnP
_chemical_formula_sum   'Ca2 Mn1 P1'
_cell_volume   95.34
_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
  Ca  Ca0  1  0.05  0.0  0.13  1.0
  Ca  Ca1  1  0.0  0.0  0.88  1.0
  Mn  Mn2  1  0.05  0.0  0.21  1.0
  P  P3  1  0.0  0.0  0.49  1.0

data_Ca2MnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.11
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnP
_chemical_formula_sum   'Ca2 Mn1 P1'
_cell_volume   95.34
_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
  Ca  Ca0  1  0.12  0.0  0.12  1.0
  Ca  Ca1  1  0.87  0.05  0.87  1.0
  Mn  Mn2  1  0.79  0.05  0.79  1.0
  P  P3  1  0.51  0.0  0.51  1.0

Ca Ca Mn P